 Entering Gaussian System, Link 0=g16
 Input=23_tartaric_acid_150_STD_wB97XD-augccpVDZr.in
 Output=23_tartaric_acid_150_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/23_tartaric_acid_150_STD/Gau-42012.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/23_tartaric_acid_150_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     42014.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=23_tartaric_acid_150_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 22:42:43 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "23_tartaric_acid_150_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.596150000000     -0.609276000000     -0.011079000000
  O                                                 1.257326000000     -1.762731000000      0.145721000000
  O                                                 2.831361000000     -0.202064000000      0.214747000000
  C                                                 0.617545000000      0.467428000000     -0.461680000000
  C                                                -0.633255000000      0.485066000000      0.462956000000
  C                                                -1.719874000000     -0.496691000000     -0.007213000000
  O                                                -2.823722000000     -0.072777000000     -0.249294000000
  O                                                 1.278067000000      1.713093000000     -0.432141000000
  O                                                -1.162976000000      1.785444000000      0.460059000000
  O                                                -1.391913000000     -1.767297000000     -0.127310000000
  H                                                 0.312245000000      0.226360000000     -1.487600000000
  H                                                -0.333287000000      0.217346000000      1.482353000000
  H                                                -0.419035000000     -1.910789000000      0.023248000000
  H                                                 2.849430000000      0.766125000000      0.077766000000
  H                                                 0.603319000000      2.381880000000     -0.229208000000
  H                                                -2.081215000000      1.690573000000      0.141279000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     16 NQM=       16 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          16          16          12          12          12          16          16          16          16
 AtmWgt=  12.0000000  15.9949146  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   5.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   8.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   8.0000000

  Atom        11          12          13          14          15          16
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Jul  8 22:42:43 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.596150   -0.609276   -0.011079
      2          8           0        1.257326   -1.762731    0.145721
      3          8           0        2.831361   -0.202064    0.214747
      4          6           0        0.617545    0.467428   -0.461680
      5          6           0       -0.633255    0.485066    0.462956
      6          6           0       -1.719874   -0.496691   -0.007213
      7          8           0       -2.823722   -0.072777   -0.249294
      8          8           0        1.278067    1.713093   -0.432141
      9          8           0       -1.162976    1.785444    0.460059
     10          8           0       -1.391913   -1.767297   -0.127310
     11          1           0        0.312245    0.226360   -1.487600
     12          1           0       -0.333287    0.217346    1.482353
     13          1           0       -0.419035   -1.910789    0.023248
     14          1           0        2.849430    0.766125    0.077766
     15          1           0        0.603319    2.381880   -0.229208
     16          1           0       -2.081215    1.690573    0.141279
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  O    1.212372   0.000000
     3  O    1.320063   2.217664   0.000000
     4  C    1.523155   2.398305   2.409721   0.000000
     5  C    2.528347   2.954239   3.540808   1.555559   0.000000
     6  C    3.317937   3.238822   4.566159   2.568967   1.538066
     7  O    4.458682   4.434742   5.675563   3.489878   2.369944
     8  O    2.381568   3.523593   2.549316   1.410264   2.441803
     9  O    3.683671   4.306532   4.468232   2.399380   1.404135
    10  O    3.206718   2.663275   4.516968   3.023859   2.448901
    11  H    2.127631   2.741787   3.070420   1.097194   2.183018
    12  H    2.576115   2.870077   3.434782   2.178506   1.095822
    13  H    2.399184   1.687337   3.677157   2.639237   2.445272
    14  H    1.862883   2.989068   0.977998   2.315498   3.515176
    15  H    3.159163   4.212612   3.440644   1.928567   2.367722
    16  H    4.339992   4.803247   5.265062   3.023731   1.911364
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.206974   0.000000
     8  O    3.748514   4.477437   0.000000
     9  O    2.395124   2.591186   2.599990   0.000000
    10  O    1.317733   2.221791   4.397139   3.608238   0.000000
    11  H    2.616076   3.384845   2.063294   2.898344   2.954524
    12  H    2.156682   3.047136   2.915306   2.047535   2.765956
    13  H    1.921662   3.038929   4.027413   3.795575   0.994861
    14  H    4.741357   5.744160   1.904189   4.157471   4.944621
    15  H    3.705763   4.215490   0.971464   1.987617   4.605106
    16  H    2.221878   1.952759   3.407946   0.976619   3.536120
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.039311   0.000000
    13  H    2.717506   2.581724   0.000000
    14  H    3.029691   3.521890   4.225128   0.000000
    15  H    2.512875   2.914083   4.419949   2.783866   0.000000
    16  H    3.244352   2.650307   3.968196   5.016961   2.796764
                   16
    16  H    0.000000
 Stoichiometry    C4H6O6
 Framework group  C1[X(C4H6O6)]
 Deg. of freedom    42
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.81D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.596150   -0.609276   -0.011079
      2          8           0        1.257327   -1.762731    0.145721
      3          8           0        2.831361   -0.202063    0.214747
      4          6           0        0.617545    0.467428   -0.461680
      5          6           0       -0.633255    0.485066    0.462956
      6          6           0       -1.719874   -0.496691   -0.007213
      7          8           0       -2.823722   -0.072778   -0.249294
      8          8           0        1.278067    1.713093   -0.432141
      9          8           0       -1.162976    1.785444    0.460059
     10          8           0       -1.391912   -1.767297   -0.127310
     11          1           0        0.312245    0.226360   -1.487600
     12          1           0       -0.333287    0.217346    1.482353
     13          1           0       -0.419034   -1.910789    0.023248
     14          1           0        2.849430    0.766126    0.077766
     15          1           0        0.603318    2.381880   -0.229208
     16          1           0       -2.081215    1.690572    0.141279
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.0846324           1.0823921           0.7513491
 Leave Link  202 at Thu Jul  8 22:42:44 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     16
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      4      5      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      7      8      9     10
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 328 were deleted.
 There are   304 symmetry adapted cartesian basis functions of A   symmetry.
 There are   284 symmetry adapted basis functions of A   symmetry.
   284 basis functions,   542 primitive gaussians,   304 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       582.5656445576 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   16 NActive=   16 NUniq=   16 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0081712776 Hartrees.
 Nuclear repulsion after empirical dispersion term =      582.5574732800 Hartrees.
 Leave Link  301 at Thu Jul  8 22:42:46 2021, MaxMem= 10737418240 cpu:              34.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   284 RedAO= T EigKep=  2.25D-05  NBF=   284
 NBsUse=   284 1.00D-06 EigRej= -1.00D+00 NBFU=   284
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   304   304   304   304   304 MxSgAt=    16 MxSgA2=    16.
 Leave Link  302 at Thu Jul  8 22:42:47 2021, MaxMem= 10737418240 cpu:               7.2 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 22:42:47 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "23_tartaric_acid_150_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 22:42:48 2021, MaxMem= 10737418240 cpu:               6.2 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737225648 LenY= 10737132791
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -607.316888794555    
 DIIS: error= 2.10D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -607.316888794555     IErMin= 1 ErrMin= 2.10D-03
 ErrMax= 2.10D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.70D-03 BMatP= 9.70D-03
 IDIUse=3 WtCom= 9.79D-01 WtEn= 2.10D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.426 Goal=   None    Shift=    0.000
 GapD=    0.426 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=6.60D-03 MaxDP=3.26D-01              OVMax= 1.37D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.48D-03    CP:  9.48D-01
 E= -607.324330261070     Delta-E=       -0.007441466515 Rises=F Damp=F
 DIIS: error= 3.90D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -607.324330261070     IErMin= 2 ErrMin= 3.90D-04
 ErrMax= 3.90D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.53D-04 BMatP= 9.70D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.90D-03
 Coeff-Com: -0.208D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.208D-01 0.102D+01
 Gap=     0.420 Goal=   None    Shift=    0.000
 RMSDP=8.91D-04 MaxDP=3.54D-02 DE=-7.44D-03 OVMax= 4.19D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.61D-04    CP:  9.41D-01  1.11D+00
 E= -607.324488846044     Delta-E=       -0.000158584974 Rises=F Damp=F
 DIIS: error= 3.90D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -607.324488846044     IErMin= 3 ErrMin= 3.90D-04
 ErrMax= 3.90D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.58D-04 BMatP= 2.53D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.90D-03
 Coeff-Com: -0.414D-01 0.527D+00 0.514D+00
 Coeff-En:   0.000D+00 0.195D+00 0.805D+00
 Coeff:     -0.413D-01 0.526D+00 0.515D+00
 Gap=     0.418 Goal=   None    Shift=    0.000
 RMSDP=1.19D-04 MaxDP=4.40D-03 DE=-1.59D-04 OVMax= 1.74D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.94D-05    CP:  9.40D-01  1.13D+00  1.09D+00
 E= -607.324660004984     Delta-E=       -0.000171158940 Rises=F Damp=F
 DIIS: error= 7.62D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -607.324660004984     IErMin= 4 ErrMin= 7.62D-05
 ErrMax= 7.62D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.12D-06 BMatP= 2.53D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.684D-02 0.282D-01 0.942D-01 0.884D+00
 Coeff:     -0.684D-02 0.282D-01 0.942D-01 0.884D+00
 Gap=     0.418 Goal=   None    Shift=    0.000
 RMSDP=7.06D-05 MaxDP=3.34D-03 DE=-1.71D-04 OVMax= 6.00D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.45D-05    CP:  9.39D-01  1.13D+00  1.20D+00  1.11D+00
 E= -607.324664994203     Delta-E=       -0.000004989219 Rises=F Damp=F
 DIIS: error= 3.26D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -607.324664994203     IErMin= 5 ErrMin= 3.26D-05
 ErrMax= 3.26D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-06 BMatP= 4.12D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.210D-02-0.481D-01-0.280D-01 0.357D+00 0.717D+00
 Coeff:      0.210D-02-0.481D-01-0.280D-01 0.357D+00 0.717D+00
 Gap=     0.418 Goal=   None    Shift=    0.000
 RMSDP=2.14D-05 MaxDP=1.09D-03 DE=-4.99D-06 OVMax= 3.53D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.05D-05    CP:  9.39D-01  1.13D+00  1.23D+00  1.20D+00  1.15D+00
 E= -607.324666088970     Delta-E=       -0.000001094767 Rises=F Damp=F
 DIIS: error= 1.61D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -607.324666088970     IErMin= 6 ErrMin= 1.61D-05
 ErrMax= 1.61D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.73D-07 BMatP= 1.13D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.156D-02-0.264D-01-0.205D-01 0.121D+00 0.365D+00 0.559D+00
 Coeff:      0.156D-02-0.264D-01-0.205D-01 0.121D+00 0.365D+00 0.559D+00
 Gap=     0.418 Goal=   None    Shift=    0.000
 RMSDP=3.71D-06 MaxDP=2.02D-04 DE=-1.09D-06 OVMax= 9.94D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.20D-06    CP:  9.39D-01  1.13D+00  1.23D+00  1.21D+00  1.21D+00
                    CP:  1.10D+00
 E= -607.324666223476     Delta-E=       -0.000000134506 Rises=F Damp=F
 DIIS: error= 4.07D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -607.324666223476     IErMin= 7 ErrMin= 4.07D-06
 ErrMax= 4.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-08 BMatP= 1.73D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.672D-04 0.106D-02-0.180D-03-0.341D-01-0.257D-01 0.176D+00
 Coeff-Com:  0.883D+00
 Coeff:      0.672D-04 0.106D-02-0.180D-03-0.341D-01-0.257D-01 0.176D+00
 Coeff:      0.883D+00
 Gap=     0.418 Goal=   None    Shift=    0.000
 RMSDP=2.24D-06 MaxDP=1.25D-04 DE=-1.35D-07 OVMax= 5.37D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.30D-07    CP:  9.39D-01  1.13D+00  1.23D+00  1.22D+00  1.25D+00
                    CP:  1.20D+00  1.05D+00
 E= -607.324666239894     Delta-E=       -0.000000016418 Rises=F Damp=F
 DIIS: error= 6.47D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -607.324666239894     IErMin= 8 ErrMin= 6.47D-07
 ErrMax= 6.47D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.38D-10 BMatP= 1.15D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.835D-04 0.185D-02 0.146D-02-0.140D-01-0.252D-01-0.168D-01
 Coeff-Com:  0.146D+00 0.907D+00
 Coeff:     -0.835D-04 0.185D-02 0.146D-02-0.140D-01-0.252D-01-0.168D-01
 Coeff:      0.146D+00 0.907D+00
 Gap=     0.418 Goal=   None    Shift=    0.000
 RMSDP=5.43D-07 MaxDP=2.73D-05 DE=-1.64D-08 OVMax= 1.04D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.68D-07    CP:  9.39D-01  1.13D+00  1.23D+00  1.22D+00  1.26D+00
                    CP:  1.22D+00  1.10D+00  1.17D+00
 E= -607.324666240762     Delta-E=       -0.000000000869 Rises=F Damp=F
 DIIS: error= 2.78D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -607.324666240762     IErMin= 9 ErrMin= 2.78D-07
 ErrMax= 2.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.67D-11 BMatP= 5.38D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.374D-04 0.619D-03 0.573D-03-0.273D-02-0.696D-02-0.228D-01
 Coeff-Com: -0.119D-01 0.337D+00 0.706D+00
 Coeff:     -0.374D-04 0.619D-03 0.573D-03-0.273D-02-0.696D-02-0.228D-01
 Coeff:     -0.119D-01 0.337D+00 0.706D+00
 Gap=     0.418 Goal=   None    Shift=    0.000
 RMSDP=1.31D-07 MaxDP=4.76D-06 DE=-8.69D-10 OVMax= 3.49D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.68D-08    CP:  9.39D-01  1.13D+00  1.23D+00  1.22D+00  1.26D+00
                    CP:  1.22D+00  1.11D+00  1.24D+00  1.05D+00
 E= -607.324666240881     Delta-E=       -0.000000000119 Rises=F Damp=F
 DIIS: error= 1.07D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -607.324666240881     IErMin=10 ErrMin= 1.07D-07
 ErrMax= 1.07D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-11 BMatP= 9.67D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.265D-05-0.312D-04-0.541D-06 0.989D-03 0.122D-02-0.744D-02
 Coeff-Com: -0.239D-01-0.604D-02 0.256D+00 0.779D+00
 Coeff:     -0.265D-05-0.312D-04-0.541D-06 0.989D-03 0.122D-02-0.744D-02
 Coeff:     -0.239D-01-0.604D-02 0.256D+00 0.779D+00
 Gap=     0.418 Goal=   None    Shift=    0.000
 RMSDP=5.54D-08 MaxDP=2.62D-06 DE=-1.19D-10 OVMax= 1.58D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.80D-08    CP:  9.39D-01  1.13D+00  1.23D+00  1.22D+00  1.26D+00
                    CP:  1.21D+00  1.11D+00  1.25D+00  1.13D+00  1.19D+00
 E= -607.324666240891     Delta-E=       -0.000000000010 Rises=F Damp=F
 DIIS: error= 5.61D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -607.324666240891     IErMin=11 ErrMin= 5.61D-08
 ErrMax= 5.61D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.33D-12 BMatP= 1.39D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.465D-05-0.115D-03-0.957D-04 0.965D-03 0.186D-02-0.443D-03
 Coeff-Com: -0.972D-02-0.573D-01 0.179D-01 0.384D+00 0.663D+00
 Coeff:      0.465D-05-0.115D-03-0.957D-04 0.965D-03 0.186D-02-0.443D-03
 Coeff:     -0.972D-02-0.573D-01 0.179D-01 0.384D+00 0.663D+00
 Gap=     0.418 Goal=   None    Shift=    0.000
 RMSDP=2.10D-08 MaxDP=9.36D-07 DE=-1.00D-11 OVMax= 6.45D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.16D-08    CP:  9.39D-01  1.13D+00  1.23D+00  1.22D+00  1.26D+00
                    CP:  1.21D+00  1.11D+00  1.25D+00  1.16D+00  1.27D+00
                    CP:  1.07D+00
 E= -607.324666240881     Delta-E=        0.000000000010 Rises=F Damp=F
 DIIS: error= 1.31D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -607.324666240891     IErMin=12 ErrMin= 1.31D-08
 ErrMax= 1.31D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.42D-13 BMatP= 3.33D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.154D-05-0.276D-04-0.281D-04 0.146D-03 0.410D-03 0.634D-03
 Coeff-Com:  0.493D-03-0.154D-01-0.257D-01 0.159D-01 0.208D+00 0.816D+00
 Coeff:      0.154D-05-0.276D-04-0.281D-04 0.146D-03 0.410D-03 0.634D-03
 Coeff:      0.493D-03-0.154D-01-0.257D-01 0.159D-01 0.208D+00 0.816D+00
 Gap=     0.418 Goal=   None    Shift=    0.000
 RMSDP=6.33D-09 MaxDP=3.45D-07 DE= 1.05D-11 OVMax= 3.13D-07

 SCF Done:  E(RwB97XD) =  -607.324666241     A.U. after   12 cycles
            NFock= 12  Conv=0.63D-08     -V/T= 2.0057
 KE= 6.039066809641D+02 PE=-2.591468553394D+03 EE= 7.976797329089D+02
 Leave Link  502 at Thu Jul  8 22:44:34 2021, MaxMem= 10737418240 cpu:            1677.1 elap:             105.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   284
 NBasis=   284 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    284 NOA=    39 NOB=    39 NVA=   245 NVB=   245

 **** Warning!!: The largest alpha MO coefficient is  0.42604317D+02

 Leave Link  801 at Thu Jul  8 22:44:34 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4951 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          16
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.59D-13 8.33D-09 XBig12= 1.00D+00 2.52D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.59D-13 8.33D-09 XBig12= 2.53D-01 6.19D-02.
     11 vectors produced by pass  2 Test12= 1.59D-13 8.33D-09 XBig12= 4.96D-02 5.07D-02.
     11 vectors produced by pass  3 Test12= 1.59D-13 8.33D-09 XBig12= 5.88D-03 1.36D-02.
     11 vectors produced by pass  4 Test12= 1.59D-13 8.33D-09 XBig12= 6.45D-04 4.40D-03.
     11 vectors produced by pass  5 Test12= 1.59D-13 8.33D-09 XBig12= 3.46D-05 9.74D-04.
     11 vectors produced by pass  6 Test12= 1.59D-13 8.33D-09 XBig12= 8.18D-07 1.60D-04.
     11 vectors produced by pass  7 Test12= 1.59D-13 8.33D-09 XBig12= 2.08D-08 1.59D-05.
     11 vectors produced by pass  8 Test12= 1.59D-13 8.33D-09 XBig12= 4.58D-10 2.27D-06.
     11 vectors produced by pass  9 Test12= 1.59D-13 8.33D-09 XBig12= 9.17D-12 3.33D-07.
      8 vectors produced by pass 10 Test12= 1.59D-13 8.33D-09 XBig12= 1.44D-13 4.10D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.866007D+02
      2 -0.650777D-02  0.778524D+02
      3  0.248353D+01 -0.491853D+00  0.532904D+02
 Isotropic polarizability for W=    0.088559       72.58 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.116465D+02  0.211745D+02 -0.461296D+01
      2   0.513298D+01 -0.121329D+02  0.381505D+01
      3   0.651353D+01 -0.904160D+01  0.797909D+00
      4   0.179485D+02 -0.228941D+01 -0.111794D+02
      5  -0.425241D+01 -0.886486D+01 -0.305876D+01
      6  -0.759608D+01  0.802362D+00  0.877096D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.419090D+01 -0.838881D+00 -0.524122D+01
      2  -0.162484D+01 -0.486164D+01 -0.309922D+01
      3  -0.137565D+02 -0.144206D+01  0.122358D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.231457D+01 -0.301269D+01 -0.178126D+02
      2  -0.360550D+00 -0.358335D+01 -0.957229D+01
      3  -0.322604D+01  0.742238D+01  0.126877D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.124039D+01  0.194275D+00  0.211960D+01
      2   0.194275D+00  0.181140D+01  0.866582D+00
      3   0.211960D+01  0.866582D+00 -0.181778D-01
 OR G Eigenvalues:    -2.8648     0.8915     2.5261  Iso=    -0.1843
 Eigenvectors:
   (1)   0.787572   0.080499  -0.610942
   (2)  -0.508518   0.644875  -0.570567
   (3)   0.348051   0.760037   0.548821
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1843 au.
 Molar Mass =    150.0878 grams/mole, [Alpha] ( 5145.0 A) =      -62.26 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40470 ScalPx= 6.70D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40470 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.13D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.65D-14 2.78D-09 XBig12= 1.00D+00 3.43D-01.
     30 vectors produced by pass  1 Test12= 2.65D-14 2.78D-09 XBig12= 7.75D-02 5.29D-02.
     30 vectors produced by pass  2 Test12= 2.65D-14 2.78D-09 XBig12= 3.66D-03 8.83D-03.
     30 vectors produced by pass  3 Test12= 2.65D-14 2.78D-09 XBig12= 5.51D-05 8.89D-04.
     30 vectors produced by pass  4 Test12= 2.65D-14 2.78D-09 XBig12= 1.53D-06 1.31D-04.
     30 vectors produced by pass  5 Test12= 2.65D-14 2.78D-09 XBig12= 2.02D-08 1.55D-05.
     30 vectors produced by pass  6 Test12= 2.65D-14 2.78D-09 XBig12= 1.55D-10 1.14D-06.
     30 vectors produced by pass  7 Test12= 2.65D-14 2.78D-09 XBig12= 1.04D-12 1.25D-07.
      4 vectors produced by pass  8 Test12= 2.65D-14 2.78D-09 XBig12= 6.99D-15 8.15D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   244 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40470 ScalPx= 1.25D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40470 ScalPx= 1.25D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40470 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.31D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.866007D+02 -0.650777D-02  0.248353D+01
      2  -0.650777D-02  0.778524D+02 -0.491853D+00
      3   0.248353D+01 -0.491853D+00  0.532904D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.419090D+01 -0.838881D+00 -0.524122D+01
      2  -0.162484D+01 -0.486164D+01 -0.309922D+01
      3  -0.137565D+02 -0.144206D+01  0.122358D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.116465D+02  0.211745D+02 -0.461296D+01
      2   0.513298D+01 -0.121329D+02  0.381505D+01
      3   0.651353D+01 -0.904160D+01  0.797909D+00
      4   0.179485D+02 -0.228941D+01 -0.111794D+02
      5  -0.425241D+01 -0.886486D+01 -0.305876D+01
      6  -0.759608D+01  0.802362D+00  0.877096D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.221577D+01 -0.784889D+00 -0.820478D-01  0.238102D+01  0.121168D+01
      2  -0.784889D+00  0.213229D+01 -0.294962D+00  0.121168D+01  0.511137D+01
      3  -0.820478D-01 -0.294962D+00  0.496054D+00 -0.323364D+00 -0.302299D+00
                 6             7             8             9            10 
      1  -0.323364D+00 -0.193301D+01  0.336503D+00  0.339961D+00 -0.218183D+01
      2  -0.302299D+00  0.336503D+00 -0.783044D+00 -0.105510D+00 -0.210568D+01
      3  -0.771893D-01  0.339961D+00 -0.105510D+00 -0.811307D+00  0.264400D+00
                11            12            13            14            15 
      1  -0.210568D+01  0.264400D+00 -0.569786D+01 -0.735849D-01 -0.162948D-01
      2  -0.827748D+00  0.869500D-01 -0.735849D-01 -0.117042D+02  0.637489D+00
      3   0.869500D-01 -0.501964D+00 -0.162948D-01  0.637489D+00 -0.197284D+01
                16            17            18            19            20 
      1   0.100060D+01  0.273986D-01 -0.255440D+00  0.908395D+01  0.157126D+00
      2   0.273986D-01  0.861406D+00 -0.263861D+01  0.157126D+00  0.624910D+00
      3  -0.255440D+00 -0.263861D+01  0.935020D+00  0.536115D+00  0.129576D+00
                21            22            23            24            25 
      1   0.536115D+00 -0.181315D+01  0.110834D+01 -0.159359D+00  0.183707D+01
      2   0.129576D+00  0.110834D+01 -0.332491D+01  0.679105D+00 -0.144344D+00
      3   0.121454D+01 -0.159359D+00  0.679105D+00 -0.101404D+00  0.229307D+01
                26            27            28            29            30 
      1  -0.144344D+00  0.229307D+01  0.560777D+01 -0.101308D+01 -0.819339D+00
      2   0.817588D+00  0.383732D+00 -0.101308D+01 -0.770665D+00  0.460933D+00
      3   0.383732D+00  0.974790D+00 -0.819339D+00  0.460933D+00  0.229094D+01
                31            32            33            34            35 
      1  -0.717873D+00 -0.200972D+01  0.944847D+00 -0.267295D+01  0.690505D+00
      2  -0.200972D+01 -0.128717D+01  0.287418D+00  0.690505D+00  0.255113D+00
      3   0.944847D+00  0.287418D+00  0.168342D+01  0.282652D+01  0.488085D+00
                36            37            38            39            40 
      1   0.282652D+01 -0.552212D+01  0.166321D+01  0.751102D+00 -0.286929D+00
      2   0.488085D+00  0.166321D+01  0.127658D+01  0.632529D+00  0.204491D+01
      3   0.475120D+01  0.751102D+00  0.632529D+00 -0.208725D+01  0.109769D+01
                41            42            43            44            45 
      1   0.204491D+01  0.109769D+01  0.280659D+01  0.525744D-01 -0.277763D+01
      2  -0.271855D+00 -0.150369D+00  0.525744D-01  0.201550D+00  0.129356D+01
      3  -0.150369D+00  0.180193D+01 -0.277763D+01  0.129356D+01 -0.459889D+01
                46            47            48            49            50 
      1   0.693025D+01 -0.247236D+01  0.795092D+00 -0.440171D+01 -0.115387D+01
      2  -0.247236D+01  0.824257D+00 -0.167312D+00 -0.115387D+01  0.326333D+00
      3   0.795092D+00 -0.167312D+00  0.577033D+00 -0.853572D+00 -0.139458D+00
                51            52            53            54            55 
      1  -0.853572D+00  0.159079D+01 -0.264316D+00  0.311362D+00 -0.147743D+02
      2  -0.139458D+00 -0.264316D+00  0.612528D+00 -0.777019D+00  0.190346D+01
      3  -0.124959D+01  0.311362D+00 -0.777019D+00  0.868235D+00 -0.120781D+01
                56            57            58            59            60 
      1   0.190346D+01 -0.120781D+01  0.266746D+01 -0.230536D+01  0.347035D+00
      2  -0.366935D+01  0.959331D-01 -0.230536D+01  0.225515D+01 -0.314151D+00
      3   0.959331D-01 -0.223221D+01  0.347035D+00 -0.314151D+00  0.108322D+01
                61            62            63            64            65 
      1  -0.208712D+01  0.251219D+00 -0.338903D+01  0.506669D+01  0.124406D+01
      2   0.251219D+00 -0.901376D+00  0.748933D+00  0.124406D+01  0.416718D+01
      3  -0.338903D+01  0.748933D+00 -0.169354D+01 -0.697754D+00 -0.520406D+00
                66            67            68            69            70 
      1  -0.697754D+00  0.190681D+00  0.293888D+01 -0.332738D+00 -0.642730D+00
      2  -0.520406D+00  0.293888D+01  0.282672D+01 -0.108121D+01 -0.484114D-01
      3   0.519677D+00 -0.332738D+00 -0.108121D+01 -0.196516D+00  0.762057D+00
                71            72            73            74            75 
      1  -0.484114D-01  0.762057D+00  0.258879D+01  0.123893D+01  0.654007D+00
      2  -0.114177D+01  0.123061D+01  0.123893D+01  0.173815D+01 -0.215399D+00
      3   0.123061D+01 -0.695972D+00  0.654007D+00 -0.215399D+00  0.935025D+00
                76            77            78            79            80 
      1   0.171395D+01 -0.930377D+00 -0.732274D+00  0.126573D+01 -0.408102D+00
      2  -0.930377D+00  0.624325D+01  0.130478D+01 -0.408102D+00  0.181287D+01
      3  -0.732274D+00  0.130478D+01  0.557230D+00 -0.313349D+00  0.157169D+01
                81            82            83            84            85 
      1  -0.313349D+00 -0.791509D+01 -0.141996D+01 -0.707139D+00  0.820492D+00
      2   0.157169D+01 -0.141996D+01 -0.146114D+01 -0.547859D-01 -0.603633D+00
      3   0.111831D+01 -0.707139D+00 -0.547859D-01 -0.185969D+00  0.390185D+00
                86            87            88            89            90 
      1  -0.603633D+00  0.390185D+00 -0.130061D+01  0.553942D-01 -0.633987D-02
      2  -0.734087D+01 -0.311326D+00  0.553942D-01 -0.762340D+00 -0.192599D+01
      3  -0.311326D+00 -0.104413D+01 -0.633987D-02 -0.192599D+01 -0.500914D+00
                91            92            93            94            95 
      1  -0.190140D+01 -0.243158D+00 -0.112259D+01 -0.417826D+00  0.175772D+00
      2  -0.243158D+00 -0.324598D+00 -0.859547D-01  0.175772D+00 -0.484044D+00
      3  -0.112259D+01 -0.859547D-01 -0.171033D+01 -0.288782D+00 -0.119253D+01
                96            97            98            99           100 
      1  -0.288782D+00 -0.148508D+01 -0.333953D+00 -0.109696D+01  0.197744D+01
      2  -0.119253D+01 -0.333953D+00 -0.177339D+01 -0.569425D+00 -0.497039D+00
      3  -0.103879D+01 -0.109696D+01 -0.569425D+00 -0.742673D+01  0.115197D+01
               101           102           103           104           105 
      1  -0.497039D+00  0.115197D+01 -0.603878D+00 -0.126711D+00 -0.274193D+00
      2   0.105374D+00 -0.155985D+00 -0.126711D+00 -0.528822D+00  0.121296D+01
      3  -0.155985D+00  0.164944D+01 -0.274193D+00  0.121296D+01 -0.113388D+01
               106           107           108           109           110 
      1   0.155721D+01 -0.228856D+00  0.135538D+01  0.872928D+01 -0.369918D+00
      2  -0.228856D+00  0.161280D+01 -0.789697D+00 -0.369918D+00  0.132691D+01
      3   0.135538D+01 -0.789697D+00  0.733281D+01  0.441612D+00  0.202434D+00
               111           112           113           114           115 
      1   0.441612D+00 -0.510782D+00  0.359452D+00 -0.330402D-01  0.121226D+01
      2   0.202434D+00  0.359452D+00 -0.173184D+01  0.497393D-01 -0.804158D-01
      3   0.349378D+00 -0.330402D-01  0.497393D-01 -0.538716D+00  0.256631D-01
               116           117           118           119           120 
      1  -0.804158D-01  0.256631D-01  0.160032D+01  0.126814D+01 -0.128309D+00
      2   0.283032D+00 -0.533707D+00  0.126814D+01  0.722995D+00  0.108433D+00
      3  -0.533707D+00  0.779923D-01 -0.128309D+00  0.108433D+00  0.581166D+00
               121           122           123           124           125 
      1   0.371023D+01  0.114353D+01  0.450512D+00 -0.388088D+00  0.961330D-01
      2   0.114353D+01  0.447620D+01 -0.344816D+00  0.961330D-01 -0.392548D+00
      3   0.450512D+00 -0.344816D+00  0.795265D+00  0.588401D+00  0.467827D+00
               126           127           128           129           130 
      1   0.588401D+00 -0.229002D+01  0.623556D+00  0.634470D+00  0.215927D+01
      2   0.467827D+00  0.623556D+00 -0.236300D+01  0.444045D-01 -0.743356D+00
      3   0.898015D-01  0.634470D+00  0.444045D-01 -0.559342D+00 -0.242451D+00
               131           132           133           134           135 
      1  -0.743356D+00 -0.242451D+00  0.748399D+00 -0.909802D-01 -0.889675D-01
      2   0.517781D+01 -0.392630D-02 -0.909802D-01  0.571379D+00  0.786816D+00
      3  -0.392630D-02  0.114697D+01 -0.889675D-01  0.786816D+00 -0.762634D-02
               136           137           138           139           140 
      1  -0.478393D+01  0.807611D+00 -0.463779D+00  0.806895D+00 -0.103595D+01
      2   0.807611D+00 -0.350213D+01 -0.266388D+00 -0.103595D+01  0.256919D+00
      3  -0.463779D+00 -0.266388D+00 -0.133619D+01  0.257966D-01 -0.331409D+00
               141           142           143           144 
      1   0.257966D-01 -0.150906D+01  0.896512D-01 -0.574690D+00
      2  -0.331409D+00  0.896512D-01 -0.127380D+01  0.368706D+00
      3   0.285012D+00 -0.574690D+00  0.368706D+00 -0.413171D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.276573D+00 -0.195139D+01  0.128657D+01 -0.375905D+01  0.280200D+01
      2   0.345501D+01 -0.308425D+01 -0.424443D+01 -0.478568D+01  0.623625D+00
      3   0.219612D+00 -0.403549D+01  0.221904D+01 -0.640578D+01 -0.629397D+01
                 6             7             8             9            10 
      1   0.750403D+01 -0.666583D+00  0.980435D+01 -0.284979D+01  0.234649D+00
      2   0.104672D+00 -0.139195D+02  0.253419D+01 -0.468445D+01 -0.271210D+00
      3   0.187472D+01  0.471678D+01  0.278578D+01 -0.139757D+01  0.607949D+01
                11            12            13            14            15 
      1   0.312961D+00 -0.472013D+00  0.575836D-01  0.251998D+00 -0.102379D+02
      2   0.688265D+00  0.301665D+01  0.919950D+00  0.901684D+00 -0.192354D+01
      3  -0.967838D+00 -0.105651D+01  0.175509D+02  0.178273D+02 -0.110949D+01
                16            17            18            19            20 
      1   0.154167D+01 -0.595165D+00  0.226834D+01  0.652920D+00  0.672886D+00
      2  -0.226898D+01 -0.540195D+01  0.219854D+01  0.918222D+00  0.604908D+00
      3  -0.294017D+01 -0.124390D+01  0.513918D+01 -0.265304D+01 -0.886291D+01
                21            22            23            24            25 
      1  -0.520798D+00  0.789631D+00 -0.165706D+01 -0.201673D+01  0.181186D+01
      2   0.875155D+01  0.938687D+00  0.193091D+01 -0.131655D+01  0.503877D+01
      3  -0.594892D+00 -0.375020D+00  0.139874D+02 -0.270157D+01 -0.114245D+01
                26            27            28            29            30 
      1   0.163340D+01  0.452460D+00  0.374146D+00  0.127026D+01  0.178330D+01
      2  -0.161892D+01  0.364115D+01 -0.294488D+01  0.947440D+00  0.344480D+01
      3  -0.410177D+01 -0.158933D+01  0.511818D+00 -0.349440D+01 -0.146476D+00
                31            32            33            34            35 
      1   0.337453D+01  0.280437D+00 -0.214054D+01 -0.194411D+01  0.254307D+01
      2   0.271675D+01 -0.530741D+00 -0.166098D+01 -0.306118D+01  0.885949D+00
      3   0.493356D+01  0.174690D+01 -0.107894D+01 -0.156239D+01 -0.293475D+00
                36            37            38            39            40 
      1  -0.174383D+01 -0.505003D+00  0.217483D+01 -0.143745D+01  0.114439D+01
      2   0.362478D+01 -0.173800D+01 -0.844971D+00  0.287903D+01 -0.244900D+01
      3  -0.154645D+00  0.107725D+01 -0.138046D+01  0.852324D-02  0.643652D+01
                41            42            43            44            45 
      1  -0.827858D-01 -0.191878D+01  0.119243D+01  0.195459D+01  0.228004D+01
      2  -0.904959D+00  0.108423D+01 -0.362530D+01 -0.208637D+01  0.345212D+01
      3   0.775559D+00  0.587587D+00  0.233909D+01 -0.818469D+00  0.642984D+00
                46            47            48            49            50 
      1  -0.644454D-01 -0.512460D+01 -0.161752D+01 -0.395365D+01 -0.290155D+01
      2   0.395077D+01  0.303871D+01 -0.790076D+01  0.424597D+01  0.176321D+01
      3  -0.545373D+01  0.690494D+01 -0.136194D+01  0.351724D+01 -0.401593D+01
                51            52            53            54            55 
      1   0.536811D+01  0.225316D+01  0.128088D+02  0.249887D+01 -0.107294D+01
      2   0.263653D+01 -0.135677D+02 -0.235655D+01 -0.557166D+01  0.517326D+00
      3   0.191258D+01 -0.233266D+01  0.547195D+01 -0.849373D+00  0.973882D+01
                56            57            58            59            60 
      1   0.235336D+01  0.623002D+00  0.109408D+01 -0.462453D+00 -0.343570D+01
      2  -0.706011D+00  0.132280D+02 -0.137804D+01 -0.946201D-01 -0.235321D+01
      3  -0.195492D+02  0.740680D+00 -0.264687D+01  0.991073D+01 -0.768086D+00
                61            62            63            64            65 
      1  -0.270058D+01  0.134914D+01 -0.104531D+01  0.186356D+01 -0.218920D+01
      2   0.507724D+01  0.781635D+00  0.523026D+01  0.168675D+01  0.589277D-01
      3   0.111905D+01 -0.429760D+01  0.339756D+01  0.130873D+02 -0.962006D+01
                66            67            68            69            70 
      1  -0.328434D+01 -0.257485D+01 -0.738386D+00 -0.335041D+01 -0.145616D+01
      2   0.370939D+01 -0.132534D+00 -0.268287D+00  0.197884D+01 -0.188158D+01
      3  -0.186288D+01 -0.322965D+01  0.169330D+01  0.197452D+01 -0.332306D+01
                71            72            73            74            75 
      1   0.313923D+01  0.890908D+00 -0.121389D+01 -0.728580D+00 -0.779198D+00
      2   0.118698D+01 -0.985745D+00 -0.186802D+01 -0.162120D+01  0.117832D+01
      3   0.171448D+01  0.224900D+00  0.123682D+02  0.656221D+01  0.259166D+01
                76            77            78            79            80 
      1  -0.732606D-01  0.284171D+01 -0.570192D+01 -0.296387D+00  0.137548D+01
      2  -0.498271D+00 -0.754506D+00 -0.221592D+01 -0.327804D+01 -0.245947D+00
      3   0.835101D+01  0.736701D+01  0.256442D+00  0.439506D+01  0.349987D+01
                81            82            83            84            85 
      1  -0.156701D+01 -0.142399D+01  0.119669D+01 -0.726748D+00  0.184037D+00
      2  -0.178272D+01 -0.160985D-02 -0.167854D+00  0.347288D+01 -0.109291D+01
      3   0.194476D+01  0.228066D+02 -0.566843D+01  0.167584D+01  0.424159D+01
                86            87            88            89            90 
      1  -0.188887D+00 -0.739161D+01 -0.211510D+01 -0.236080D+01 -0.179993D+01
      2   0.243259D+00  0.294893D+00 -0.948161D+00  0.415043D+01  0.139887D+01
      3  -0.841269D+01 -0.939038D+00  0.456529D+01 -0.209622D+01 -0.316671D+01
                91            92            93            94            95 
      1   0.903037D+00  0.933628D+00  0.667357D+00  0.800781D+00  0.784873D+00
      2  -0.223157D+01 -0.528858D+00 -0.531974D+00 -0.128264D+01 -0.120055D+01
      3  -0.610275D+00 -0.298327D+00 -0.284488D+00  0.999382D+00  0.231808D+00
                96            97            98            99           100 
      1   0.571125D+00  0.657676D+00  0.343731D+01  0.224543D+01 -0.936986D+00
      2  -0.564965D+00 -0.355704D+01 -0.309504D+00 -0.437557D+01 -0.205769D+01
      3   0.775788D+00 -0.234836D+00  0.512337D+00 -0.250427D+00  0.184411D+00
               101           102           103           104           105 
      1   0.761696D+00 -0.789601D+00  0.665682D+00 -0.133112D+01  0.540945D+00
      2   0.460691D+00 -0.474313D+00  0.126703D+01 -0.845644D+00  0.580575D+00
      3  -0.841257D+00  0.302662D+00  0.848639D+00 -0.709700D+00  0.736137D+00
               106           107           108           109           110 
      1  -0.891862D+00  0.320180D+01 -0.271258D+01  0.129334D+01 -0.403002D+00
      2  -0.393228D+01  0.789746D+00 -0.421345D+01  0.245775D+00 -0.224744D+00
      3  -0.187954D+00  0.300574D+00 -0.200049D+00 -0.279052D+02  0.690666D+01
               111           112           113           114           115 
      1   0.104048D+01 -0.501899D+00  0.632698D-01 -0.612323D+00  0.510266D+00
      2  -0.276591D+01  0.413922D-01 -0.102744D+00  0.294159D+00 -0.292299D+01
      3  -0.127319D+01  0.438106D+01 -0.227981D+01  0.195494D+00 -0.377322D+01
               116           117           118           119           120 
      1   0.426790D+00  0.282449D+00  0.455213D+00 -0.457837D+00 -0.774036D+00
      2   0.407431D+00 -0.245383D+00 -0.244286D+00 -0.647449D-01  0.675107D+00
      3   0.108822D+01 -0.366477D+00 -0.441699D+01 -0.889990D+00 -0.556489D+00
               121           122           123           124           125 
      1  -0.909797D-02  0.210081D+01 -0.517514D+00  0.168704D+00  0.100664D+01
      2   0.715412D+00 -0.164069D+01  0.319223D+01  0.178069D+00  0.198995D+01
      3  -0.133968D+01 -0.197283D+02  0.204923D+01 -0.586002D-01  0.246807D+01
               126           127           128           129           130 
      1  -0.206911D+00 -0.317286D+01  0.155063D+01  0.202547D+01  0.127200D+01
      2  -0.415735D+00 -0.108432D+01  0.294126D+00 -0.648892D+00  0.570812D+00
      3  -0.132300D+01 -0.116358D+02  0.543366D+01  0.290689D+01  0.885011D+01
               131           132           133           134           135 
      1  -0.235301D+01 -0.292706D+01  0.493703D+00 -0.128753D+01 -0.671944D+00
      2  -0.288537D+00  0.665961D+00 -0.114697D+01  0.509580D+00  0.721297D+00
      3  -0.886815D+01 -0.109296D+01  0.370821D+01 -0.165307D+01 -0.123233D+01
               136           137           138           139           140 
      1   0.233668D+01 -0.372333D+00  0.297553D+01  0.246162D+00  0.836404D+00
      2   0.291066D+01  0.903333D+00  0.285637D+01  0.203075D+00  0.116859D+01
      3  -0.133955D+02 -0.912691D+01 -0.306255D+01 -0.281132D+01 -0.323516D+01
               141           142           143           144 
      1  -0.379560D+00  0.143840D+01  0.490734D+00  0.143293D+01
      2  -0.796932D+00  0.513920D+00 -0.121306D+01  0.765527D+00
      3  -0.143024D+01 -0.528814D+01 -0.333679D+01 -0.819472D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.195896D+02  0.159267D+01 -0.483933D+00 -0.170985D+01  0.233034D+02
      2   0.114316D+02 -0.447311D+01  0.236688D+01  0.130731D+01 -0.297975D+02
      3   0.815797D+01  0.288044D+01 -0.188295D+01  0.402537D+00  0.649416D+01
      4  -0.598109D+01  0.141911D+01 -0.101878D+01 -0.454250D+01  0.918691D+01
      5  -0.232257D+01 -0.204239D+01 -0.730443D+01  0.240950D+00  0.569039D+00
      6   0.578277D+00 -0.145772D+00 -0.447304D+01  0.110674D+00  0.175649D+01
                 6             7             8             9            10 
      1  -0.325622D+01 -0.799073D+01 -0.547314D+01 -0.294986D+01 -0.254817D+01
      2  -0.133222D-01  0.584086D+01  0.415887D+01 -0.643234D+01  0.630156D+01
      3   0.326954D+01  0.214987D+01  0.131427D+01  0.938221D+01 -0.375339D+01
      4  -0.818959D+00  0.459062D+00 -0.160704D+01 -0.990131D+00 -0.449508D+01
      5  -0.198346D+01  0.313295D+01  0.116410D+01 -0.495018D+01  0.356782D-01
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 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 23:01:53 2021, MaxMem= 10737418240 cpu:           16597.4 elap:            1038.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.35876 -19.33086 -19.32766 -19.31537 -19.30859
 Alpha  occ. eigenvalues --  -19.28709 -10.47918 -10.45915 -10.41152 -10.40536
 Alpha  occ. eigenvalues --   -1.26518  -1.23901  -1.19980  -1.17735  -1.17100
 Alpha  occ. eigenvalues --   -1.14512  -0.91271  -0.81496  -0.75699  -0.72833
 Alpha  occ. eigenvalues --   -0.70022  -0.68265  -0.65896  -0.61753  -0.59842
 Alpha  occ. eigenvalues --   -0.59029  -0.56807  -0.55112  -0.54511  -0.54432
 Alpha  occ. eigenvalues --   -0.51337  -0.50104  -0.46685  -0.45605  -0.44242
 Alpha  occ. eigenvalues --   -0.42868  -0.40952  -0.40142  -0.39251
 Alpha virt. eigenvalues --    0.02567   0.03163   0.04463   0.04858   0.04911
 Alpha virt. eigenvalues --    0.05761   0.07332   0.07410   0.08979   0.10718
 Alpha virt. eigenvalues --    0.11106   0.11192   0.11862   0.12669   0.13459
 Alpha virt. eigenvalues --    0.14090   0.14505   0.15066   0.15476   0.15860
 Alpha virt. eigenvalues --    0.16826   0.17032   0.18360   0.18742   0.19943
 Alpha virt. eigenvalues --    0.21035   0.21905   0.22811   0.23888   0.24829
 Alpha virt. eigenvalues --    0.25653   0.25752   0.26446   0.26769   0.27041
 Alpha virt. eigenvalues --    0.27722   0.27765   0.28628   0.29015   0.29707
 Alpha virt. eigenvalues --    0.30547   0.30782   0.32082   0.32553   0.32640
 Alpha virt. eigenvalues --    0.33035   0.33427   0.33734   0.34995   0.35592
 Alpha virt. eigenvalues --    0.36963   0.37114   0.37951   0.39136   0.39635
 Alpha virt. eigenvalues --    0.39836   0.41114   0.42446   0.43426   0.43841
 Alpha virt. eigenvalues --    0.44273   0.45933   0.46434   0.46919   0.48579
 Alpha virt. eigenvalues --    0.49083   0.50416   0.51674   0.53183   0.53965
 Alpha virt. eigenvalues --    0.54603   0.54983   0.56595   0.58065   0.58590
 Alpha virt. eigenvalues --    0.59246   0.60201   0.61388   0.62722   0.63179
 Alpha virt. eigenvalues --    0.63671   0.64821   0.66579   0.66885   0.68137
 Alpha virt. eigenvalues --    0.69711   0.70047   0.72374   0.74576   0.75154
 Alpha virt. eigenvalues --    0.76672   0.77070   0.77282   0.77717   0.79724
 Alpha virt. eigenvalues --    0.80423   0.83410   0.83670   0.85014   0.86241
 Alpha virt. eigenvalues --    0.87049   0.88000   0.88930   0.90797   0.92159
 Alpha virt. eigenvalues --    0.93338   0.93959   0.94412   0.95406   0.98124
 Alpha virt. eigenvalues --    0.98804   1.00462   1.03117   1.03613   1.04923
 Alpha virt. eigenvalues --    1.07189   1.09048   1.09876   1.10651   1.10930
 Alpha virt. eigenvalues --    1.13385   1.14573   1.15685   1.16991   1.18374
 Alpha virt. eigenvalues --    1.19830   1.21118   1.22151   1.23521   1.24335
 Alpha virt. eigenvalues --    1.25438   1.26888   1.28280   1.30182   1.31217
 Alpha virt. eigenvalues --    1.33446   1.34848   1.35640   1.38624   1.39141
 Alpha virt. eigenvalues --    1.40436   1.42000   1.44640   1.47590   1.49685
 Alpha virt. eigenvalues --    1.50891   1.52917   1.54248   1.56214   1.57651
 Alpha virt. eigenvalues --    1.58572   1.60255   1.61063   1.62370   1.62789
 Alpha virt. eigenvalues --    1.65538   1.68196   1.68840   1.71578   1.73763
 Alpha virt. eigenvalues --    1.74947   1.78708   1.81105   1.82693   1.84068
 Alpha virt. eigenvalues --    1.86827   1.87940   1.89225   1.91121   1.91493
 Alpha virt. eigenvalues --    1.94313   1.95990   1.98483   2.00403   2.01621
 Alpha virt. eigenvalues --    2.05115   2.09211   2.09989   2.10697   2.12731
 Alpha virt. eigenvalues --    2.14088   2.16773   2.20558   2.22665   2.24663
 Alpha virt. eigenvalues --    2.26006   2.29800   2.31721   2.33961   2.36478
 Alpha virt. eigenvalues --    2.38471   2.44255   2.44942   2.45535   2.47222
 Alpha virt. eigenvalues --    2.48758   2.54654   2.56780   2.61543   2.67214
 Alpha virt. eigenvalues --    2.67648   2.70393   2.71339   2.75429   2.80399
 Alpha virt. eigenvalues --    2.83570   2.90668   2.98401   3.04804   3.11208
 Alpha virt. eigenvalues --    3.15469   3.18771   3.28715   3.32120   3.39767
 Alpha virt. eigenvalues --    3.40752   3.41386   3.42602   3.43474   3.45485
 Alpha virt. eigenvalues --    3.46882   3.47747   3.49557   3.50032   3.50710
 Alpha virt. eigenvalues --    3.51975   3.53615   3.55217   3.56639   3.58563
 Alpha virt. eigenvalues --    3.61526   3.63491   3.65551   3.69662   3.72909
 Alpha virt. eigenvalues --    3.73532   3.78566   3.82751   3.87112   3.90022
 Alpha virt. eigenvalues --    3.99147   4.07030   4.11464   4.16508   4.23032
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.646537   0.334799  -0.107326  -0.301636  -0.129594  -0.027100
     2  O    0.334799   8.372306  -0.140836  -0.020076   0.007780   0.005962
     3  O   -0.107326  -0.140836   8.332868   0.077015   0.022932  -0.002203
     4  C   -0.301636  -0.020076   0.077015   5.470350   0.366469  -0.109826
     5  C   -0.129594   0.007780   0.022932   0.366469   5.464013  -0.316988
     6  C   -0.027100   0.005962  -0.002203  -0.109826  -0.316988   5.628917
     7  O   -0.002827  -0.002381   0.000363   0.028910  -0.021317   0.373109
     8  O    0.036444  -0.011854  -0.050024  -0.098221   0.034829   0.028293
     9  O    0.026156  -0.003255  -0.001037   0.063639  -0.066426   0.012166
    10  O    0.003327  -0.045715  -0.002572   0.006736   0.087281  -0.107567
    11  H   -0.066841   0.007126   0.012500  -0.064891  -0.043818  -0.076219
    12  H   -0.031851   0.023948  -0.003236  -0.176601  -0.028865  -0.038112
    13  H   -0.045687   0.063665   0.004334  -0.010191  -0.039846  -0.065776
    14  H   -0.068615   0.025889   0.301120  -0.043563  -0.015591  -0.002460
    15  H   -0.012787   0.001392   0.002274  -0.019319  -0.063192  -0.005269
    16  H   -0.002989   0.000369   0.000329  -0.014694  -0.051768  -0.073362
               7          8          9         10         11         12
     1  C   -0.002827   0.036444   0.026156   0.003327  -0.066841  -0.031851
     2  O   -0.002381  -0.011854  -0.003255  -0.045715   0.007126   0.023948
     3  O    0.000363  -0.050024  -0.001037  -0.002572   0.012500  -0.003236
     4  C    0.028910  -0.098221   0.063639   0.006736  -0.064891  -0.176601
     5  C   -0.021317   0.034829  -0.066426   0.087281  -0.043818  -0.028865
     6  C    0.373109   0.028293   0.012166  -0.107567  -0.076219  -0.038112
     7  O    8.265648  -0.001992  -0.051157  -0.110577   0.001543  -0.009638
     8  O   -0.001992   8.422695  -0.041233  -0.003802  -0.087518   0.027383
     9  O   -0.051157  -0.041233   8.501861  -0.020503  -0.006878  -0.151191
    10  O   -0.110577  -0.003802  -0.020503   8.406256   0.021116  -0.011406
    11  H    0.001543  -0.087518  -0.006878   0.021116   1.422494   0.094783
    12  H   -0.009638   0.027383  -0.151191  -0.011406   0.094783   1.537837
    13  H    0.015310   0.004572   0.001595   0.226021   0.007995   0.014675
    14  H    0.000053   0.035389  -0.001452   0.000053   0.007890   0.006452
    15  H    0.001140   0.348433   0.040599   0.001259  -0.010633   0.003681
    16  H    0.051491   0.001324   0.328997   0.007186   0.016854   0.036993
              13         14         15         16
     1  C   -0.045687  -0.068615  -0.012787  -0.002989
     2  O    0.063665   0.025889   0.001392   0.000369
     3  O    0.004334   0.301120   0.002274   0.000329
     4  C   -0.010191  -0.043563  -0.019319  -0.014694
     5  C   -0.039846  -0.015591  -0.063192  -0.051768
     6  C   -0.065776  -0.002460  -0.005269  -0.073362
     7  O    0.015310   0.000053   0.001140   0.051491
     8  O    0.004572   0.035389   0.348433   0.001324
     9  O    0.001595  -0.001452   0.040599   0.328997
    10  O    0.226021   0.000053   0.001259   0.007186
    11  H    0.007995   0.007890  -0.010633   0.016854
    12  H    0.014675   0.006452   0.003681   0.036993
    13  H    0.616979  -0.000370  -0.001110  -0.001238
    14  H   -0.000370   0.581683  -0.003475  -0.000291
    15  H   -0.001110  -0.003475   0.555024  -0.001707
    16  H   -0.001238  -0.000291  -0.001707   0.551635
 Mulliken charges:
               1
     1  C    0.749990
     2  O   -0.619119
     3  O   -0.446502
     4  C    0.845900
     5  C    0.794102
     6  C    0.776434
     7  O   -0.537677
     8  O   -0.644718
     9  O   -0.631881
    10  O   -0.457093
    11  H   -0.235503
    12  H   -0.294852
    13  H    0.209072
    14  H    0.177287
    15  H    0.163692
    16  H    0.150870
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.749990
     2  O   -0.619119
     3  O   -0.269215
     4  C    0.610398
     5  C    0.499249
     6  C    0.776434
     7  O   -0.537677
     8  O   -0.481026
     9  O   -0.481012
    10  O   -0.248021
 Electronic spatial extent (au):  <R**2>=           1425.6375
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.0518    Y=              2.6089    Z=             -0.0226  Tot=              3.3191
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -67.8249   YY=            -61.2780   ZZ=            -55.5234
   XY=              1.1996   XZ=             -2.0461   YZ=             -0.5672
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.2828   YY=              0.2641   ZZ=              6.0187
   XY=              1.1996   XZ=             -2.0461   YZ=             -0.5672
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             28.9247  YYY=             16.3070  ZZZ=             -0.0445  XYY=             -1.7137
  XXY=             22.1255  XXZ=              3.1060  XZZ=              0.5698  YZZ=             -2.0866
  YYZ=             -2.0460  XYZ=              6.1782
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1126.0015 YYYY=           -530.2300 ZZZZ=            -94.8049 XXXY=             10.3799
 XXXZ=            -19.7688 YYYX=              2.2045 YYYZ=             -6.1053 ZZZX=              1.0856
 ZZZY=             -0.4487 XXYY=           -269.0656 XXZZ=           -191.5309 YYZZ=           -113.4624
 XXYZ=              3.1138 YYXZ=              4.0998 ZZXY=              0.0003
 N-N= 5.825574732800D+02 E-N=-2.591468552856D+03  KE= 6.039066809641D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 23:01:54 2021, MaxMem= 10737418240 cpu:               6.1 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.93647824D-01 1.05583078D+00-1.16623924D-02
 Polarizability= 8.08764244D+01 1.14712420D-02 7.21132048D+01
                 2.28734473D+00-4.23094189D-01 4.78161568D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.2429   -1.2418       -0.0029   -0.0033
 2      1.2429    1.2418        0.2462    0.2459       -4.3738   -4.3741
 3      0.0029    0.0033       16.6558   16.6551       -0.2459   -0.2459
 4     -0.2462   -0.2459       -0.0000    0.0000        0.0036    0.0033
 5    -12.2820  -12.2810       -0.0036   -0.0033       -1.2422   -1.2418
 6      0.2459    0.2459        1.2422    1.2418        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        3.7253    3.7253       -0.0098   -0.0098
 2     -0.7378   -0.7378       -0.0000    0.0000       -0.0098   -0.0098
 3     -0.7378   -0.7378        3.7253    3.7253       -0.0000    0.0000
 4      3.7253    3.7253        0.7378    0.7378      -13.1224  -13.1224
 5      0.0098    0.0098       49.9653   49.9653       -0.7378   -0.7378
 6    -36.8429  -36.8429       -0.0098   -0.0098       -3.7253   -3.7253
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0960    0.0000        4.6755    4.9671       -0.6837    0.0130
 2     -5.1317   -4.9671       -0.9793   -0.9837       17.8730   17.4965
 3      0.1322   -0.0130      -66.4370  -66.6205        0.8215    0.9837
 4      1.1500    0.9837       -0.0515    0.0000       -0.4774   -0.0130
 5     49.1007   49.1239        0.0615    0.0130        5.1595    4.9671
 6     -0.9757   -0.9837       -5.0583   -4.9671       -0.0401    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0536    0.0000      -19.0104  -18.9977        2.3523    2.4637
 2     19.0663   18.9977       -4.6105   -4.5413       18.3189   18.1051
 3     -2.4961   -2.4637       -6.1702   -5.9346        4.7407    4.5413
 4      4.4281    4.5413       -0.0409    0.0000       -2.3976   -2.4637
 5    -12.3823  -12.1704        2.5759    2.4637      -18.7766  -18.9977
 6     -4.6699   -4.5413       19.2967   18.9977       -0.0458    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.3819   -1.3806       -8.9337   -9.1776       -4.8793   -5.0548
 2      0.8013    0.7694      -30.2226  -30.2161       -4.8115   -5.0548
 3      0.8485    0.7694       -9.0529   -9.1776       -8.1051   -8.4280
 4     20.9667   21.0386       -1.8465   -2.1499       11.4058   11.7958
 5     -3.5931   -3.3732       -2.5054   -2.0916        1.6543    2.1499
 6     -9.9740   -9.7042        3.7652    3.3732      -20.4801  -21.0386
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.8870   -3.1437   -0.0005    0.0006    0.0007    1.1840
 Low frequencies ---   72.1256   87.7194  114.5635
 Diagonal vibrational polarizability:
       43.8185514      27.4081734      31.0639178
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     72.1253                87.7193               114.5634
 Red. masses --      9.0905                 9.3887                11.3872
 Frc consts  --      0.0279                 0.0426                 0.0881
 IR Inten    --      0.2035                 2.2821                 2.7739
 RamAct Fr= 1--      0.3961                 0.1279                 0.7689
  Dep-P Fr= 1--      0.7499                 0.5152                 0.7484
  Dep-U Fr= 1--      0.8571                 0.6800                 0.8561
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0000
 Beta2  Fr= 1--      0.0566                 0.0145                 0.1097
 AlphaG Fr= 1--     -0.0000                -0.0005                 0.0011
 Gamma2 Fr= 1--     -0.0137                 0.0994                 0.2729
 Delta2 Fr= 1--     -0.0142                 0.0915                 0.1892
 Raman1 Fr= 1--       1.584                  0.512                  3.075
 ROA1   Fr= 1--      -1.766                 12.466                 32.251
 CID1   Fr= 1--      -1.115                 24.369                 10.486
 Raman2 Fr= 1--       0.679                  0.174                  1.316
 ROA2   Fr= 1--      -0.214                  1.653                  5.036
 CID2   Fr= 1--      -0.315                  9.502                  3.825
 Raman3 Fr= 1--       1.358                  0.348                  2.633
 ROA3   Fr= 1--      -1.766                 12.466                 32.251
 CID3   Fr= 1--      -1.300                 35.836                 12.249
 RC180  Fr= 1--       0.714                  0.360                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01    -0.01  -0.01  -0.07    -0.02  -0.00  -0.11
     2   8     0.04  -0.06  -0.29    -0.04  -0.02  -0.24     0.05  -0.05  -0.37
     3   8    -0.12   0.08   0.47     0.03  -0.12  -0.07    -0.09   0.07   0.18
     4   6     0.02  -0.03  -0.11     0.05   0.11   0.08    -0.03   0.01  -0.05
     5   6     0.05   0.02  -0.07    -0.04   0.11  -0.09     0.03  -0.02   0.06
     6   6    -0.00   0.00   0.06     0.00  -0.04   0.06     0.03   0.00   0.03
     7   8    -0.07  -0.02   0.34    -0.05  -0.13   0.11     0.16   0.08  -0.40
     8   8     0.02  -0.03  -0.18     0.15   0.06   0.39    -0.05   0.02  -0.07
     9   8     0.06   0.02  -0.11    -0.13   0.08  -0.39     0.03  -0.02   0.17
    10   8     0.02   0.03  -0.13     0.03  -0.04   0.22    -0.10  -0.08   0.50
    11   1     0.01  -0.09  -0.09     0.13   0.33   0.00    -0.10   0.02  -0.03
    12   1     0.09   0.06  -0.07    -0.12   0.31  -0.01     0.10  -0.05   0.02
    13   1     0.04   0.01  -0.29     0.07   0.02   0.05    -0.08  -0.09   0.33
    14   1    -0.17   0.09   0.51     0.09  -0.10   0.10    -0.15   0.09   0.27
    15   1     0.03  -0.02  -0.18     0.13   0.13   0.09    -0.05  -0.02   0.09
    16   1    -0.00   0.00   0.10    -0.16  -0.08  -0.28     0.13   0.04  -0.14
                      4                      5                      6
                      A                      A                      A
 Frequencies --    228.1123               238.8674               323.7049
 Red. masses --      8.6268                 7.1660                 5.2360
 Frc consts  --      0.2645                 0.2409                 0.3233
 IR Inten    --     21.3141                15.7689                19.5821
 RamAct Fr= 1--      0.1752                 0.7667                 0.4657
  Dep-P Fr= 1--      0.2867                 0.7497                 0.0848
  Dep-U Fr= 1--      0.4456                 0.8570                 0.1563
 Alpha2 Fr= 1--      0.0019                 0.0000                 0.0085
 Beta2  Fr= 1--      0.0130                 0.1095                 0.0121
 AlphaG Fr= 1--     -0.0008                 0.0002                -0.0062
 Gamma2 Fr= 1--      0.0250                -0.2409                 0.0520
 Delta2 Fr= 1--      0.0450                -0.1119                 0.0233
 Raman1 Fr= 1--       0.701                  3.067                  1.863
 ROA1   Fr= 1--       3.842                -26.708                  5.740
 CID1   Fr= 1--       5.484                 -8.709                  3.082
 Raman2 Fr= 1--       0.156                  1.314                  0.146
 ROA2   Fr= 1--       0.240                 -4.886                  1.063
 CID2   Fr= 1--       1.537                 -3.719                  7.300
 Raman3 Fr= 1--       0.312                  2.628                  0.291
 ROA3   Fr= 1--       3.842                -26.708                  5.740
 CID3   Fr= 1--      12.305                -10.163                 19.718
 RC180  Fr= 1--      -0.109                  0.714                 -0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.20  -0.03  -0.02     0.05  -0.11   0.07     0.10   0.04   0.08
     2   8    -0.26  -0.02  -0.02     0.29  -0.21  -0.11    -0.02   0.06  -0.10
     3   8    -0.18  -0.17   0.02     0.02   0.09  -0.08     0.22  -0.22   0.06
     4   6    -0.10   0.08   0.02    -0.12  -0.16   0.22     0.07   0.05   0.14
     5   6     0.00   0.16   0.13    -0.13   0.09   0.19    -0.01   0.02   0.12
     6   6     0.19  -0.01   0.06    -0.04   0.11   0.07     0.02  -0.01   0.05
     7   8     0.16  -0.15  -0.06    -0.03   0.04  -0.08     0.06   0.09   0.01
     8   8     0.05  -0.00  -0.14    -0.12  -0.17   0.01    -0.09   0.12  -0.17
     9   8    -0.12   0.10   0.10    -0.05   0.14  -0.09    -0.21  -0.07  -0.04
    10   8     0.40   0.08  -0.04     0.11   0.16  -0.07    -0.09  -0.02  -0.04
    11   1    -0.24   0.07   0.06    -0.20  -0.27   0.26     0.03  -0.16   0.20
    12   1     0.08   0.24   0.13    -0.25   0.22   0.26    -0.07   0.10   0.16
    13   1     0.44   0.16   0.00     0.09   0.13   0.01    -0.09  -0.05  -0.06
    14   1    -0.05  -0.18  -0.01    -0.18   0.10  -0.02     0.48  -0.23   0.08
    15   1     0.17   0.10  -0.10    -0.12  -0.13  -0.16    -0.19   0.08  -0.34
    16   1    -0.08  -0.00  -0.01    -0.02   0.14  -0.18    -0.18  -0.31  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    333.7030               363.7008               417.4328
 Red. masses --      7.6208                 5.0553                 5.1811
 Frc consts  --      0.5000                 0.3940                 0.5319
 IR Inten    --     19.6766                 4.1529                12.1503
 RamAct Fr= 1--      3.0484                 0.2291                 0.8502
  Dep-P Fr= 1--      0.1936                 0.5786                 0.6557
  Dep-U Fr= 1--      0.3244                 0.7330                 0.7921
 Alpha2 Fr= 1--      0.0421                 0.0007                 0.0014
 Beta2  Fr= 1--      0.1648                 0.0280                 0.1122
 AlphaG Fr= 1--      0.0144                 0.0038                -0.0069
 Gamma2 Fr= 1--      0.0203                -0.0044                 0.2577
 Delta2 Fr= 1--      0.1825                -0.0156                 0.1033
 Raman1 Fr= 1--      12.194                  0.916                  3.401
 ROA1   Fr= 1--       7.786                 -0.923                 28.044
 CID1   Fr= 1--       0.639                 -1.007                  8.246
 Raman2 Fr= 1--       1.978                  0.336                  1.347
 ROA2   Fr= 1--      -0.974                  0.018                  5.358
 CID2   Fr= 1--      -0.492                  0.055                  3.978
 Raman3 Fr= 1--       3.955                  0.672                  2.694
 ROA3   Fr= 1--       7.786                 -0.923                 28.044
 CID3   Fr= 1--       1.969                 -1.374                 10.411
 RC180  Fr= 1--      -0.351                  0.466                  0.584
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01  -0.04    -0.02   0.01  -0.01    -0.03   0.11   0.06
     2   8    -0.09  -0.00   0.04     0.05  -0.01   0.01    -0.12   0.12  -0.09
     3   8    -0.15   0.10  -0.03    -0.07   0.15  -0.03     0.00   0.07  -0.03
     4   6    -0.07  -0.04   0.01    -0.01   0.02   0.02    -0.02   0.02   0.22
     5   6     0.15  -0.08   0.12     0.00   0.04   0.06    -0.01  -0.03   0.20
     6   6     0.19  -0.05   0.12     0.02  -0.02   0.03    -0.05  -0.10   0.04
     7   8     0.32   0.26   0.06     0.06   0.08   0.01    -0.02  -0.14  -0.07
     8   8    -0.20   0.01   0.13     0.34  -0.12  -0.05     0.09  -0.03  -0.05
     9   8     0.06  -0.13  -0.24    -0.26  -0.08   0.04     0.25   0.09  -0.08
    10   8    -0.04  -0.08  -0.10    -0.12  -0.05  -0.04    -0.10  -0.13  -0.07
    11   1    -0.17   0.03   0.02    -0.08   0.10   0.03    -0.16  -0.06   0.27
    12   1     0.22   0.14   0.15     0.03   0.07   0.06    -0.16   0.02   0.26
    13   1    -0.06  -0.21  -0.05    -0.14  -0.13  -0.01    -0.10  -0.14  -0.08
    14   1    -0.25   0.10  -0.05    -0.21   0.16  -0.07    -0.00   0.07  -0.02
    15   1    -0.35  -0.10  -0.00     0.57   0.15  -0.26     0.11   0.13  -0.55
    16   1     0.04  -0.36  -0.15    -0.25  -0.34   0.06     0.15   0.25   0.20
                     10                     11                     12
                      A                      A                      A
 Frequencies --    473.7899               517.7383               537.6214
 Red. masses --      1.3752                 3.3865                 1.9009
 Frc consts  --      0.1819                 0.5348                 0.3237
 IR Inten    --     28.1515                11.8291                80.1549
 RamAct Fr= 1--      1.0404                 4.2792                 1.1962
  Dep-P Fr= 1--      0.5146                 0.4343                 0.0909
  Dep-U Fr= 1--      0.6795                 0.6056                 0.1667
 Alpha2 Fr= 1--      0.0048                 0.0279                 0.0214
 Beta2  Fr= 1--      0.1178                 0.4319                 0.0332
 AlphaG Fr= 1--      0.0119                 0.0207                 0.0412
 Gamma2 Fr= 1--      0.3666                -2.0063                 0.0756
 Delta2 Fr= 1--      0.0622                -1.1604                -0.0136
 Raman1 Fr= 1--       4.162                 17.117                  4.785
 ROA1   Fr= 1--      37.186               -229.736                  6.820
 CID1   Fr= 1--       8.935                -13.422                  1.425
 Raman2 Fr= 1--       1.414                  5.183                  0.399
 ROA2   Fr= 1--       8.301                -38.867                  1.923
 CID2   Fr= 1--       5.871                 -7.499                  4.822
 Raman3 Fr= 1--       2.828                 10.366                  0.797
 ROA3   Fr= 1--      37.186               -229.736                  6.820
 CID3   Fr= 1--      13.149                -22.162                  8.552
 RC180  Fr= 1--       0.359                  0.211                 -0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.03    -0.05  -0.09   0.01    -0.03  -0.01   0.10
     2   8     0.01  -0.04   0.00     0.14  -0.14   0.06    -0.02  -0.04  -0.03
     3   8    -0.01   0.01  -0.02    -0.06  -0.06  -0.00    -0.03   0.02  -0.04
     4   6     0.02   0.02   0.04    -0.02   0.09  -0.03     0.02   0.02   0.11
     5   6     0.00   0.03   0.01     0.02   0.11  -0.05    -0.01  -0.04  -0.03
     6   6     0.01  -0.03   0.02     0.07  -0.03  -0.04     0.02   0.02  -0.11
     7   8     0.02  -0.02   0.02     0.07  -0.05   0.01    -0.01   0.04   0.02
     8   8     0.01   0.06  -0.07    -0.03   0.13   0.01     0.01   0.05  -0.07
     9   8    -0.00   0.05   0.00    -0.00   0.16   0.04     0.03  -0.06  -0.06
    10   8    -0.05  -0.05  -0.03    -0.11  -0.12  -0.03     0.04   0.02   0.06
    11   1     0.02   0.02   0.04     0.01   0.13  -0.05     0.09  -0.05   0.11
    12   1    -0.03   0.10   0.03     0.06   0.11  -0.06    -0.16  -0.19  -0.01
    13   1    -0.06  -0.10  -0.03    -0.15  -0.27  -0.01     0.07   0.07  -0.02
    14   1    -0.09   0.01  -0.01    -0.01  -0.06   0.00    -0.14   0.04   0.02
    15   1     0.15  -0.06   0.81    -0.16   0.15  -0.49     0.11   0.01   0.39
    16   1     0.15   0.13  -0.46    -0.19   0.10   0.60    -0.25  -0.15   0.75
                     13                     14                     15
                      A                      A                      A
 Frequencies --    589.8038               610.7104               671.8309
 Red. masses --      2.6964                 3.1956                 4.2171
 Frc consts  --      0.5526                 0.7022                 1.1215
 IR Inten    --     46.7171                21.8890                26.7278
 RamAct Fr= 1--      1.5961                 1.7323                 0.5265
  Dep-P Fr= 1--      0.2402                 0.6176                 0.7317
  Dep-U Fr= 1--      0.3874                 0.7636                 0.8451
 Alpha2 Fr= 1--      0.0194                 0.0042                 0.0002
 Beta2  Fr= 1--      0.1030                 0.2205                 0.0742
 AlphaG Fr= 1--     -0.0544                 0.0089                -0.0002
 Gamma2 Fr= 1--      1.2711                 1.0424                -0.5844
 Delta2 Fr= 1--      0.1026                 1.0186                -0.4472
 Raman1 Fr= 1--       6.384                  6.929                  2.106
 ROA1   Fr= 1--     125.307                132.665                -70.412
 CID1   Fr= 1--      19.627                 19.146                -33.434
 Raman2 Fr= 1--       1.236                  2.646                  0.890
 ROA2   Fr= 1--      29.684                 16.869                -10.448
 CID2   Fr= 1--      24.007                  6.377                -11.741
 Raman3 Fr= 1--       2.473                  5.291                  1.780
 ROA3   Fr= 1--     125.307                132.665                -70.412
 CID3   Fr= 1--      50.671                 25.074                -39.563
 RC180  Fr= 1--      -0.225                  0.527                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01   0.17    -0.05  -0.07   0.00    -0.08   0.11  -0.07
     2   8    -0.07  -0.02  -0.07     0.04  -0.12   0.03     0.17   0.06   0.03
     3   8    -0.00   0.06  -0.07    -0.11   0.01  -0.03    -0.06  -0.12   0.04
     4   6     0.06  -0.05   0.08     0.07   0.08   0.06    -0.17   0.09   0.05
     5   6    -0.02   0.02  -0.14     0.05  -0.07   0.06    -0.16  -0.08  -0.01
     6   6     0.08  -0.00  -0.14    -0.06   0.03   0.02    -0.03  -0.08  -0.14
     7   8     0.05   0.04   0.09    -0.09  -0.02  -0.02     0.01   0.18   0.08
     8   8    -0.02  -0.04   0.02     0.06   0.20  -0.03     0.04  -0.02  -0.02
     9   8    -0.03   0.04   0.09     0.05  -0.15  -0.01     0.05  -0.01  -0.01
    10   8     0.02  -0.05   0.04     0.02   0.09   0.01     0.10  -0.12   0.04
    11   1     0.29  -0.23   0.05     0.03   0.15   0.06    -0.31   0.19   0.06
    12   1    -0.15  -0.07  -0.13     0.01  -0.10   0.07    -0.36  -0.22   0.02
    13   1     0.04  -0.04  -0.10     0.01   0.10   0.08     0.16   0.05  -0.02
    14   1    -0.14   0.08   0.07    -0.14   0.00  -0.03     0.34  -0.18  -0.20
    15   1    -0.17  -0.03  -0.48    -0.13   0.17  -0.54     0.20   0.13  -0.04
    16   1     0.18   0.16  -0.56     0.25  -0.09  -0.60     0.14   0.22  -0.30
                     16                     17                     18
                      A                      A                      A
 Frequencies --    736.8360               753.8405               757.8937
 Red. masses --      1.2721                 3.9115                 6.0088
 Frc consts  --      0.4069                 1.3096                 2.0335
 IR Inten    --     89.1039                 1.5708                15.9919
 RamAct Fr= 1--      0.9249                 0.0352                 7.8098
  Dep-P Fr= 1--      0.2425                 0.6342                 0.0571
  Dep-U Fr= 1--      0.3904                 0.7761                 0.1080
 Alpha2 Fr= 1--      0.0112                 0.0001                 0.1517
 Beta2  Fr= 1--      0.0602                 0.0045                 0.1406
 AlphaG Fr= 1--      0.0518                -0.0022                -0.0456
 Gamma2 Fr= 1--      0.0583                 0.0364                 0.4504
 Delta2 Fr= 1--      0.1852                 0.0106                -0.1471
 Raman1 Fr= 1--       3.700                  0.141                 31.239
 ROA1   Fr= 1--      11.519                  3.831                 38.535
 CID1   Fr= 1--       3.113                 27.242                  1.234
 Raman2 Fr= 1--       0.722                  0.055                  1.688
 ROA2   Fr= 1--      -0.084                  0.788                 11.987
 CID2   Fr= 1--      -0.116                 14.443                  7.103
 Raman3 Fr= 1--       1.444                  0.109                  3.375
 ROA3   Fr= 1--      11.519                  3.831                 38.535
 CID3   Fr= 1--       7.976                 35.100                 11.418
 RC180  Fr= 1--      -0.219                  0.552                 -0.784
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.11   0.10   0.28     0.18  -0.19  -0.15
     2   8     0.01   0.01   0.02     0.07   0.00  -0.09    -0.19  -0.11   0.02
     3   8     0.02  -0.03  -0.06    -0.05  -0.03  -0.03     0.10   0.14   0.07
     4   6    -0.01   0.00  -0.03     0.01   0.00  -0.09     0.11  -0.04   0.00
     5   6    -0.03  -0.01  -0.01    -0.01  -0.01  -0.11    -0.12  -0.03   0.02
     6   6    -0.05  -0.04   0.06    -0.13  -0.09   0.26    -0.16  -0.16   0.06
     7   8    -0.01   0.05  -0.01    -0.01   0.08  -0.07    -0.04   0.19  -0.01
     8   8     0.01   0.01  -0.01     0.02   0.01   0.02     0.02   0.11  -0.00
     9   8     0.01   0.01  -0.00     0.02  -0.02   0.01    -0.04   0.11   0.01
    10   8     0.04  -0.03  -0.01     0.06  -0.04  -0.06     0.16  -0.17  -0.01
    11   1     0.04  -0.00  -0.04     0.36  -0.17  -0.16     0.06   0.08  -0.01
    12   1     0.03   0.02  -0.02     0.33   0.16  -0.16    -0.15   0.06   0.05
    13   1     0.05   0.03   0.02     0.05   0.05   0.16     0.23   0.16   0.04
    14   1    -0.24   0.13   0.95     0.22  -0.12  -0.53    -0.18   0.07  -0.61
    15   1    -0.00   0.00  -0.03     0.04   0.02   0.04    -0.13   0.00  -0.13
    16   1    -0.01   0.04   0.03    -0.03   0.03   0.16    -0.09   0.17   0.17
                     19                     20                     21
                      A                      A                      A
 Frequencies --    894.4386               905.1655               936.4318
 Red. masses --      1.4505                 2.3246                 4.1013
 Frc consts  --      0.6837                 1.1221                 2.1190
 IR Inten    --     64.7487                30.8030                 0.6842
 RamAct Fr= 1--      1.0396                 0.3588                 3.1073
  Dep-P Fr= 1--      0.6045                 0.3487                 0.1919
  Dep-U Fr= 1--      0.7535                 0.5171                 0.3219
 Alpha2 Fr= 1--      0.0028                 0.0032                 0.0431
 Beta2  Fr= 1--      0.1306                 0.0309                 0.1667
 AlphaG Fr= 1--     -0.0196                -0.0079                 0.0421
 Gamma2 Fr= 1--      0.8535                 0.4941                -0.7292
 Delta2 Fr= 1--      0.5160                 0.3334                -0.0989
 Raman1 Fr= 1--       4.158                  1.435                 12.429
 ROA1   Fr= 1--      98.445                 58.107                -73.165
 CID1   Fr= 1--      23.673                 40.483                 -5.887
 Raman2 Fr= 1--       1.567                  0.371                  2.001
 ROA2   Fr= 1--      16.355                  9.192                -16.708
 CID2   Fr= 1--      10.439                 24.766                 -8.351
 Raman3 Fr= 1--       3.134                  0.742                  4.001
 ROA3   Fr= 1--      98.445                 58.107                -73.165
 CID3   Fr= 1--      31.417                 78.282                -18.284
 RC180  Fr= 1--       0.507                  0.034                 -0.356
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.02   0.05  -0.08    -0.01  -0.04   0.16
     2   8    -0.03  -0.02  -0.02     0.04   0.06  -0.01    -0.05  -0.08  -0.03
     3   8     0.05   0.02   0.01    -0.11  -0.04  -0.01     0.15   0.04   0.00
     4   6    -0.07   0.02   0.01     0.15  -0.06   0.06    -0.21   0.11  -0.10
     5   6    -0.09  -0.04  -0.06     0.12   0.05   0.05     0.22   0.11   0.09
     6   6     0.04   0.02   0.03    -0.05  -0.02  -0.09    -0.05  -0.02  -0.17
     7   8     0.05  -0.02   0.02    -0.08   0.04   0.01    -0.12   0.04   0.01
     8   8     0.01   0.02  -0.01    -0.02  -0.03   0.00    -0.04  -0.04   0.02
     9   8     0.02  -0.02  -0.00    -0.03   0.05   0.01     0.02  -0.03  -0.01
    10   8    -0.01   0.04  -0.04     0.04  -0.06  -0.03     0.05  -0.08   0.01
    11   1    -0.06   0.05  -0.00     0.15  -0.18   0.09    -0.39   0.21  -0.06
    12   1    -0.13  -0.09  -0.06     0.09   0.12   0.07     0.42   0.19   0.05
    13   1    -0.21  -0.16   0.91    -0.09  -0.04   0.83     0.03   0.05   0.31
    14   1    -0.02   0.02   0.01     0.05  -0.04   0.05    -0.07   0.06   0.01
    15   1     0.09   0.09  -0.03    -0.17  -0.19   0.07     0.21   0.21  -0.01
    16   1     0.01   0.14  -0.00    -0.03  -0.17   0.03     0.09  -0.32  -0.14
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1020.2756              1127.1730              1137.4767
 Red. masses --      5.9687                 5.4793                 5.5608
 Frc consts  --      3.6607                 4.1016                 4.2391
 IR Inten    --     17.3205               176.5827                33.6898
 RamAct Fr= 1--      6.2455                 1.4371                 1.5181
  Dep-P Fr= 1--      0.2164                 0.7485                 0.7461
  Dep-U Fr= 1--      0.3559                 0.8561                 0.8546
 Alpha2 Fr= 1--      0.0812                 0.0000                 0.0001
 Beta2  Fr= 1--      0.3704                 0.2051                 0.2162
 AlphaG Fr= 1--      0.0382                 0.0027                 0.0030
 Gamma2 Fr= 1--     -0.8199                 0.4678                -0.1221
 Delta2 Fr= 1--      0.4841                 0.3185                -0.4597
 Raman1 Fr= 1--      24.982                  5.748                  6.072
 ROA1   Fr= 1--     -63.216                 55.102                -26.433
 CID1   Fr= 1--      -2.530                  9.586                 -4.353
 Raman2 Fr= 1--       4.445                  2.461                  2.595
 ROA2   Fr= 1--     -23.549                  8.680                  0.747
 CID2   Fr= 1--      -5.298                  3.527                  0.288
 Raman3 Fr= 1--       8.890                  4.921                  5.189
 ROA3   Fr= 1--     -63.216                 55.102                -26.433
 CID3   Fr= 1--      -7.111                 11.197                 -5.094
 RC180  Fr= 1--      -0.288                  0.712                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.04  -0.17    -0.04  -0.01  -0.05    -0.05  -0.01   0.04
     2   8    -0.00   0.01   0.04    -0.01  -0.03   0.01    -0.00  -0.07   0.01
     3   8    -0.01   0.00   0.03     0.01   0.02   0.00     0.01   0.03  -0.01
     4   6    -0.10   0.11   0.38     0.16   0.13  -0.03     0.26   0.41  -0.04
     5   6     0.19   0.10  -0.37    -0.22   0.38   0.05     0.02  -0.18   0.05
     6   6    -0.07  -0.04   0.16     0.02   0.05  -0.02    -0.01  -0.03   0.05
     7   8    -0.02   0.01  -0.05    -0.01   0.01   0.00     0.01  -0.00  -0.00
     8   8    -0.09  -0.09  -0.04    -0.06  -0.10  -0.00    -0.12  -0.24  -0.04
     9   8     0.02  -0.05   0.04     0.11  -0.29   0.01    -0.04   0.10  -0.02
    10   8     0.01  -0.00  -0.02     0.01  -0.08  -0.01    -0.00   0.03  -0.00
    11   1    -0.09   0.10   0.37     0.26   0.02  -0.05     0.07   0.59  -0.05
    12   1     0.22   0.11  -0.37    -0.06   0.59   0.08    -0.26  -0.41   0.07
    13   1     0.05   0.07  -0.15     0.00  -0.07  -0.01    -0.01   0.04   0.05
    14   1    -0.04   0.00   0.01     0.07   0.01   0.03     0.07   0.03   0.05
    15   1     0.29   0.26  -0.05    -0.03  -0.08  -0.00     0.03  -0.09  -0.02
    16   1     0.04  -0.14  -0.00     0.01   0.40   0.14    -0.02  -0.04  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1222.1990              1241.4673              1264.9717
 Red. masses --      1.4129                 1.6103                 1.4161
 Frc consts  --      1.2435                 1.4623                 1.3351
 IR Inten    --     68.1414                10.2251                 5.3623
 RamAct Fr= 1--      5.1311                 3.3155                 5.4779
  Dep-P Fr= 1--      0.5193                 0.5041                 0.1674
  Dep-U Fr= 1--      0.6836                 0.6703                 0.2868
 Alpha2 Fr= 1--      0.0231                 0.0161                 0.0810
 Beta2  Fr= 1--      0.5846                 0.3704                 0.2619
 AlphaG Fr= 1--      0.0072                 0.0077                -0.0258
 Gamma2 Fr= 1--      1.0547                -0.9565                 0.8496
 Delta2 Fr= 1--      0.5489                -0.6587                 0.3052
 Raman1 Fr= 1--      20.524                 13.262                 21.912
 ROA1   Fr= 1--     118.817               -112.904                 91.330
 CID1   Fr= 1--       5.789                 -8.513                  4.168
 Raman2 Fr= 1--       7.015                  4.445                  3.142
 ROA2   Fr= 1--      20.922                -17.687                 17.949
 CID2   Fr= 1--       2.983                 -3.979                  5.712
 Raman3 Fr= 1--      14.030                  8.890                  6.284
 ROA3   Fr= 1--     118.817               -112.904                 91.330
 CID3   Fr= 1--       8.469                -12.701                 14.533
 RC180  Fr= 1--       0.367                  0.341                 -0.426
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02  -0.00    -0.08   0.02  -0.04    -0.10   0.01  -0.08
     2   8     0.01   0.04  -0.00    -0.01  -0.05   0.01    -0.02  -0.06   0.02
     3   8    -0.05  -0.05   0.00     0.04   0.04   0.01     0.04   0.05   0.01
     4   6    -0.03   0.04  -0.00    -0.02   0.01   0.05    -0.03   0.00   0.01
     5   6    -0.04  -0.04   0.06    -0.02  -0.10   0.01    -0.01   0.02   0.04
     6   6     0.00  -0.02  -0.04    -0.01  -0.09  -0.08     0.01   0.05   0.02
     7   8     0.01  -0.00   0.01     0.03  -0.00   0.02    -0.02   0.00  -0.01
     8   8    -0.05  -0.01   0.00     0.02  -0.00  -0.01    -0.01   0.01   0.01
     9   8     0.00   0.01  -0.01    -0.01   0.00   0.00     0.01   0.02  -0.01
    10   8    -0.01   0.02   0.00    -0.02   0.07   0.01     0.02  -0.03  -0.00
    11   1     0.52  -0.18  -0.12     0.19   0.00  -0.01     0.52  -0.39  -0.07
    12   1     0.28   0.10  -0.00     0.57   0.56  -0.01     0.02  -0.39  -0.07
    13   1    -0.00   0.08   0.02    -0.00   0.12  -0.00    -0.00  -0.14  -0.03
    14   1    -0.45  -0.03  -0.11     0.34   0.02   0.09     0.43   0.03   0.11
    15   1     0.40   0.42  -0.05    -0.12  -0.14   0.02     0.19   0.18   0.02
    16   1     0.01   0.05  -0.02    -0.04   0.32   0.05     0.04  -0.29  -0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1296.6459              1339.3920              1371.4172
 Red. masses --      2.5429                 1.1800                 1.1789
 Frc consts  --      2.5190                 1.2473                 1.3064
 IR Inten    --    120.8540               105.1891                72.3703
 RamAct Fr= 1--      5.3182                 2.4135                 4.4376
  Dep-P Fr= 1--      0.3813                 0.3647                 0.6313
  Dep-U Fr= 1--      0.5521                 0.5345                 0.7740
 Alpha2 Fr= 1--      0.0421                 0.0202                 0.0096
 Beta2  Fr= 1--      0.4894                 0.2150                 0.5724
 AlphaG Fr= 1--      0.0071                -0.0083                 0.0116
 Gamma2 Fr= 1--      0.0082                -1.8092                 0.1245
 Delta2 Fr= 1--      0.0347                -0.2034                -0.4946
 Raman1 Fr= 1--      21.273                  9.654                 17.750
 ROA1   Fr= 1--       1.900               -180.194                 -3.874
 CID1   Fr= 1--       0.089                -18.666                 -0.218
 Raman2 Fr= 1--       5.872                  2.580                  6.869
 ROA2   Fr= 1--      -0.081                -41.794                  6.946
 CID2   Fr= 1--      -0.014                -16.199                  1.011
 Raman3 Fr= 1--      11.745                  5.160                 13.738
 ROA3   Fr= 1--       1.900               -180.194                 -3.874
 CID3   Fr= 1--       0.162                -34.922                 -0.282
 RC180  Fr= 1--       0.104                  0.069                  0.548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00   0.01
     2   8    -0.01   0.02  -0.00     0.01   0.03  -0.00    -0.01  -0.00  -0.00
     3   8    -0.00  -0.00  -0.00     0.02  -0.01   0.01    -0.02   0.01  -0.01
     4   6     0.01   0.00   0.02    -0.04  -0.03   0.06    -0.00  -0.09   0.00
     5   6     0.03  -0.13   0.00    -0.05   0.03   0.02     0.04  -0.03  -0.01
     6   6     0.07   0.27   0.04     0.01   0.02   0.00     0.00   0.02   0.01
     7   8    -0.08   0.01  -0.02    -0.01   0.00  -0.00    -0.01   0.00  -0.00
     8   8    -0.00   0.00  -0.00     0.02  -0.01  -0.03    -0.04   0.00  -0.01
     9   8    -0.06  -0.02  -0.02     0.01   0.01  -0.01     0.00  -0.00   0.02
    10   8     0.06  -0.13  -0.00     0.01  -0.01  -0.00     0.01  -0.01  -0.00
    11   1    -0.10   0.02   0.06     0.33   0.62  -0.19     0.26   0.54  -0.21
    12   1     0.37   0.08  -0.05     0.33  -0.26  -0.16    -0.40   0.37   0.22
    13   1    -0.03  -0.48  -0.07    -0.01  -0.11   0.00    -0.00  -0.02  -0.00
    14   1    -0.01  -0.00   0.00    -0.19  -0.01  -0.06     0.30   0.01   0.09
    15   1     0.06   0.06  -0.01    -0.26  -0.28  -0.01     0.25   0.26  -0.02
    16   1    -0.10   0.68   0.05     0.02  -0.21  -0.04     0.01  -0.05   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1385.3234              1409.8370              1430.0101
 Red. masses --      1.4176                 1.4493                 2.0953
 Frc consts  --      1.6029                 1.6972                 2.5245
 IR Inten    --    275.0836               122.6179               196.7509
 RamAct Fr= 1--      3.3785                 1.7192                 1.4862
  Dep-P Fr= 1--      0.3770                 0.3794                 0.4953
  Dep-U Fr= 1--      0.5476                 0.5501                 0.6624
 Alpha2 Fr= 1--      0.0271                 0.0137                 0.0075
 Beta2  Fr= 1--      0.3083                 0.1576                 0.1641
 AlphaG Fr= 1--     -0.0063                 0.0357                -0.0151
 Gamma2 Fr= 1--     -1.8507                 0.5119                -0.1035
 Delta2 Fr= 1--     -0.0757                 0.7084                 0.3003
 Raman1 Fr= 1--      13.514                  6.877                  5.945
 ROA1   Fr= 1--    -180.087                 71.813                 -0.330
 CID1   Fr= 1--     -13.326                 10.443                 -0.056
 Raman2 Fr= 1--       3.700                  1.892                  1.969
 ROA2   Fr= 1--     -43.811                  6.618                 -4.887
 CID2   Fr= 1--     -11.841                  3.499                 -2.482
 Raman3 Fr= 1--       7.400                  3.783                  3.938
 ROA3   Fr= 1--    -180.087                 71.813                 -0.330
 CID3   Fr= 1--     -24.337                 18.983                 -0.084
 RC180  Fr= 1--       0.095                  0.100                  0.325
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.00   0.04     0.08  -0.01   0.01     0.19  -0.03   0.03
     2   8    -0.02  -0.02  -0.00    -0.01  -0.01  -0.00    -0.03  -0.01  -0.00
     3   8    -0.08   0.02  -0.03    -0.04   0.01  -0.01    -0.10   0.01  -0.02
     4   6     0.07  -0.06   0.00    -0.09   0.03   0.00    -0.10   0.12  -0.01
     5   6    -0.07   0.03   0.01     0.10   0.04   0.03    -0.06  -0.05  -0.03
     6   6     0.00  -0.01  -0.01    -0.03   0.00   0.01     0.04   0.06   0.01
     7   8     0.01  -0.00   0.01     0.03  -0.01   0.00    -0.03   0.00  -0.01
     8   8    -0.03   0.00   0.00     0.02  -0.01  -0.01     0.05  -0.01  -0.00
     9   8     0.00   0.01  -0.01    -0.04  -0.03  -0.02     0.04   0.02   0.02
    10   8    -0.01  -0.00  -0.00    -0.02  -0.02  -0.01     0.01  -0.02  -0.00
    11   1    -0.38   0.19   0.08     0.30   0.01  -0.12     0.11  -0.23   0.00
    12   1     0.47  -0.29  -0.23    -0.17  -0.36   0.02    -0.05   0.39   0.08
    13   1     0.01   0.16   0.04     0.05   0.46   0.08    -0.01  -0.17  -0.00
    14   1     0.50   0.01   0.15     0.25  -0.00   0.06     0.40  -0.01   0.10
    15   1     0.25   0.26  -0.00    -0.16  -0.18   0.01    -0.31  -0.35   0.05
    16   1     0.01  -0.03  -0.04    -0.08   0.59   0.04     0.07  -0.50  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1472.0672              1785.3903              1820.1838
 Red. masses --      1.5115                 9.0202                 8.2062
 Frc consts  --      1.9298                16.9408                16.0186
 IR Inten    --    155.5918               320.8943               292.6858
 RamAct Fr= 1--      1.1872                23.1491                12.4883
  Dep-P Fr= 1--      0.3450                 0.0917                 0.4463
  Dep-U Fr= 1--      0.5130                 0.1681                 0.6171
 Alpha2 Fr= 1--      0.0106                 0.4136                 0.0777
 Beta2  Fr= 1--      0.1015                 0.6484                 1.2845
 AlphaG Fr= 1--      0.0069                -0.0400                 0.0707
 Gamma2 Fr= 1--     -0.4649                -0.5525                 0.1636
 Delta2 Fr= 1--      0.0401                 0.0871                -0.1771
 Raman1 Fr= 1--       4.749                 92.597                 49.953
 ROA1   Fr= 1--     -43.352                -50.255                 10.041
 CID1   Fr= 1--      -9.129                 -0.543                  0.201
 Raman2 Fr= 1--       1.218                  7.781                 15.413
 ROA2   Fr= 1--     -11.480                -13.957                  5.343
 CID2   Fr= 1--      -9.424                 -1.794                  0.347
 Raman3 Fr= 1--       2.436                 15.562                 30.827
 ROA3   Fr= 1--     -43.352                -50.255                 10.041
 CID3   Fr= 1--     -17.795                 -3.229                  0.326
 RC180  Fr= 1--       0.026                 -0.664                  0.234
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.01     0.16   0.59  -0.08    -0.10  -0.30   0.03
     2   8     0.01  -0.01   0.00    -0.08  -0.35   0.05     0.05   0.17  -0.02
     3   8     0.03  -0.00   0.01     0.00  -0.06   0.01     0.01   0.03  -0.00
     4   6     0.02  -0.00   0.01    -0.00  -0.05   0.01    -0.01   0.01  -0.00
     5   6    -0.05  -0.05  -0.02     0.00   0.00  -0.01    -0.02  -0.00  -0.00
     6   6     0.02   0.13   0.02     0.30  -0.09   0.07     0.52  -0.24   0.10
     7   8     0.03  -0.03   0.00    -0.18   0.06  -0.04    -0.32   0.11  -0.07
     8   8     0.00   0.00  -0.00     0.00  -0.01   0.00     0.00   0.01  -0.00
     9   8     0.01   0.02   0.01    -0.01   0.00   0.00     0.00   0.01  -0.00
    10   8    -0.03  -0.10  -0.02    -0.04  -0.00  -0.01    -0.06   0.03  -0.01
    11   1    -0.04  -0.01   0.03    -0.01   0.10  -0.01     0.03  -0.05  -0.01
    12   1     0.05   0.18   0.00    -0.06  -0.02  -0.01    -0.03  -0.10   0.00
    13   1     0.12   0.89   0.12     0.14   0.19   0.09     0.04   0.54   0.07
    14   1    -0.13   0.00  -0.03    -0.47   0.02  -0.12     0.22  -0.00   0.06
    15   1    -0.00  -0.00   0.00    -0.02  -0.02  -0.01     0.02   0.03   0.00
    16   1     0.04  -0.29  -0.02    -0.04   0.15   0.01    -0.04   0.19  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3001.1265              3021.8027              3219.4006
 Red. masses --      1.0820                 1.0840                 1.0738
 Frc consts  --      5.7417                 5.8321                 6.5572
 IR Inten    --     13.2219                14.2386               844.9797
 RamAct Fr= 1--    126.1672                26.0858                84.3219
  Dep-P Fr= 1--      0.1578                 0.2175                 0.2201
  Dep-U Fr= 1--      0.2726                 0.3572                 0.3608
 Alpha2 Fr= 1--      1.9120                 0.3381                 1.0850
 Beta2  Fr= 1--      5.7323                 1.5532                 5.0710
 AlphaG Fr= 1--     -0.2955                -0.0922                -0.0128
 Gamma2 Fr= 1--     -3.9853                 3.0002                 0.1962
 Delta2 Fr= 1--     -5.0233                 6.5080                 1.5184
 Raman1 Fr= 1--     504.669                104.343                337.288
 ROA1   Fr= 1--    -543.333                496.271                 67.422
 CID1   Fr= 1--      -1.077                  4.756                  0.200
 Raman2 Fr= 1--      68.788                 18.638                 60.852
 ROA2   Fr= 1--     -55.460                 19.940                 -7.440
 CID2   Fr= 1--      -0.806                  1.070                 -0.122
 Raman3 Fr= 1--     137.576                 37.276                121.704
 ROA3   Fr= 1--    -543.333                496.271                 67.422
 CID3   Fr= 1--      -3.949                 13.313                  0.554
 RC180  Fr= 1--      -0.455                 -0.286                 -0.278
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     2   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     3   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.02  -0.01  -0.07    -0.01  -0.01  -0.03     0.00   0.00  -0.00
     5   6     0.01  -0.01   0.03    -0.02   0.02  -0.07     0.00  -0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     7   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    10   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.06   0.01  -0.01
    11   1     0.26   0.19   0.87     0.10   0.07   0.35    -0.00   0.00  -0.00
    12   1    -0.11   0.09  -0.35     0.26  -0.21   0.86    -0.00  -0.00  -0.00
    13   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.97  -0.19   0.16
    14   1     0.00   0.01  -0.00     0.00   0.00  -0.00     0.01   0.03  -0.00
    15   1     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.01  -0.00
    16   1     0.01   0.00   0.00    -0.01  -0.00  -0.01    -0.02   0.01  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3584.5675              3589.3900              3677.8414
 Red. masses --      1.0645                 1.0643                 1.0651
 Frc consts  --      8.0585                 8.0792                 8.4883
 IR Inten    --    178.1773               198.4792               109.3392
 RamAct Fr= 1--     75.3704                21.0641                32.1190
  Dep-P Fr= 1--      0.0604                 0.1493                 0.1161
  Dep-U Fr= 1--      0.1139                 0.2598                 0.2081
 Alpha2 Fr= 1--      1.4522                 0.3262                 0.5405
 Beta2  Fr= 1--      1.4314                 0.9122                 1.1139
 AlphaG Fr= 1--      0.0712                 0.0792                -0.0576
 Gamma2 Fr= 1--     -4.5642                 5.9768                -1.2467
 Delta2 Fr= 1--     -2.7359                 2.5190                -0.4436
 Raman1 Fr= 1--     301.482                 84.256                128.476
 ROA1   Fr= 1--    -525.708                654.385               -133.875
 CID1   Fr= 1--      -1.744                  7.767                 -1.042
 Raman2 Fr= 1--      17.176                 10.947                 13.367
 ROA2   Fr= 1--     -87.653                123.292                -26.371
 CID2   Fr= 1--      -5.103                 11.263                 -1.973
 Raman3 Fr= 1--      34.352                 21.893                 26.734
 ROA3   Fr= 1--    -525.708                654.385               -133.875
 CID3   Fr= 1--     -15.303                 29.890                 -5.008
 RC180  Fr= 1--      -0.772                 -0.480                 -0.584
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   8     0.00   0.02  -0.00    -0.00  -0.06   0.01     0.00   0.01  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.04  -0.04  -0.01
     9   8    -0.05  -0.00  -0.02    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00
    10   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.01
    12   1     0.00  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   1     0.03  -0.00   0.00    -0.02   0.00  -0.00    -0.01   0.00  -0.00
    14   1    -0.02  -0.30   0.04     0.07   0.94  -0.12    -0.00  -0.10   0.01
    15   1     0.07  -0.08  -0.02    -0.05   0.05   0.01    -0.66   0.71   0.20
    16   1     0.89   0.04   0.30     0.29   0.01   0.10     0.08   0.00   0.03

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  8 and mass  15.99491
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Molecular mass:   150.01644 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   865.735951667.363582402.00096
           X            0.99999   0.00406  -0.00272
           Y           -0.00407   0.99999  -0.00149
           Z            0.00271   0.00150   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10005     0.05195     0.03606
 Rotational constants (GHZ):           2.08463     1.08239     0.75135
 Zero-point vibrational energy     304952.0 (Joules/Mol)
                                   72.88527 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    103.77   126.21   164.83   328.20   343.68
          (Kelvin)            465.74   480.12   523.28   600.59   681.68
                              744.91   773.52   848.60   878.68   966.61
                             1060.14  1084.61  1090.44  1286.90  1302.33
                             1347.32  1467.95  1621.75  1636.58  1758.47
                             1786.19  1820.01  1865.58  1927.09  1973.16
                             1993.17  2028.44  2057.47  2117.98  2568.78
                             2618.84  4317.95  4347.70  4632.00  5157.39
                             5164.33  5291.59
 
 Zero-point correction=                           0.116150 (Hartree/Particle)
 Thermal correction to Energy=                    0.125383
 Thermal correction to Enthalpy=                  0.126327
 Thermal correction to Gibbs Free Energy=         0.081403
 Sum of electronic and zero-point Energies=           -607.579004
 Sum of electronic and thermal Energies=              -607.569771
 Sum of electronic and thermal Enthalpies=            -607.568827
 Sum of electronic and thermal Free Energies=         -607.613750
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   78.679             34.154             94.550
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.927
 Rotational               0.889              2.981             29.629
 Vibrational             76.902             28.193             23.994
 Vibration     1          0.598              1.967              4.094
 Vibration     2          0.601              1.958              3.710
 Vibration     3          0.607              1.937              3.190
 Vibration     4          0.651              1.798              1.894
 Vibration     5          0.657              1.781              1.811
 Vibration     6          0.708              1.628              1.291
 Vibration     7          0.715              1.608              1.242
 Vibration     8          0.737              1.547              1.106
 Vibration     9          0.780              1.432              0.901
 Vibration    10          0.831              1.308              0.727
 Vibration    11          0.873              1.211              0.615
 Vibration    12          0.893              1.167              0.570
 Vibration    13          0.947              1.054              0.468
 Vibration    14          0.970              1.009              0.432
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.360606D-37        -37.442967        -86.215617
 Total V=0       0.960087D+16         15.982311         36.800630
 Vib (Bot)       0.749085D-51        -51.125469       -117.720743
 Vib (Bot)    1  0.285867D+01          0.456164          1.050356
 Vib (Bot)    2  0.234481D+01          0.370108          0.852206
 Vib (Bot)    3  0.178599D+01          0.251879          0.579972
 Vib (Bot)    4  0.864137D+00         -0.063418         -0.146025
 Vib (Bot)    5  0.821299D+00         -0.085499         -0.196868
 Vib (Bot)    6  0.579430D+00         -0.236999         -0.545711
 Vib (Bot)    7  0.558637D+00         -0.252870         -0.582255
 Vib (Bot)    8  0.502713D+00         -0.298680         -0.687735
 Vib (Bot)    9  0.421464D+00         -0.375239         -0.864020
 Vib (Bot)   10  0.354871D+00         -0.449929         -1.036000
 Vib (Bot)   11  0.312413D+00         -0.505271         -1.163430
 Vib (Bot)   12  0.295358D+00         -0.529651         -1.219567
 Vib (Bot)   13  0.255819D+00         -0.592067         -1.363284
 Vib (Bot)   14  0.241804D+00         -0.616536         -1.419627
 Vib (V=0)       0.199438D+03          2.299808          5.295505
 Vib (V=0)    1  0.340207D+01          0.531743          1.224383
 Vib (V=0)    2  0.289753D+01          0.462028          1.063859
 Vib (V=0)    3  0.235466D+01          0.371928          0.856395
 Vib (V=0)    4  0.149836D+01          0.175618          0.404374
 Vib (V=0)    5  0.146153D+01          0.164807          0.379481
 Vib (V=0)    6  0.126534D+01          0.102206          0.235337
 Vib (V=0)    7  0.124972D+01          0.096812          0.222917
 Vib (V=0)    8  0.120903D+01          0.082436          0.189817
 Vib (V=0)    9  0.115394D+01          0.062182          0.143179
 Vib (V=0)   10  0.111313D+01          0.046548          0.107180
 Vib (V=0)   11  0.108958D+01          0.037258          0.085790
 Vib (V=0)   12  0.108072D+01          0.033713          0.077628
 Vib (V=0)   13  0.106164D+01          0.025979          0.059818
 Vib (V=0)   14  0.105540D+01          0.023417          0.053920
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.722208D+08          7.858662         18.095238
 Rotational      0.666561D+06          5.823840         13.409887
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  33           3      33                                        11         1111111111  11  1                                   
     6  55           2      00                                        87         4443332222  11  0  998  777 6 65 554 4333  22  1    
     7  88           1      20                                        28         7318739642  32  2  309  553 7 19 317 1632  32  187  
     8  95           9      21                                        05         2005197512  77  0  654  847 2 10 884 7444  98  582  
 
     X  XX           X      XX                                        XX         XXXXXXXXXX  XX  X  XXX  XXX X XX XXX XXXX  XX  XXX  
     X  XX           X                                                XX         XXXXXXX  X   X       X    X      X                  
     X  XX           X                                                XX         XXXX  X      X                                      
        XX           X                                                XX         XX X         X                                      
        X            X                                                XX          X X                                                
                     X                                                XX            X                                                
                     X                                                XX            X                                                
                     X                                                 X                                                             
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000004074   -0.000001755   -0.000003318
      2        8          -0.000003485   -0.000005707    0.000001032
      3        8           0.000005201    0.000002927   -0.000001410
      4        6           0.000003186    0.000004652    0.000001129
      5        6          -0.000004948    0.000003142   -0.000002528
      6        6          -0.000001929   -0.000008542    0.000005804
      7        8          -0.000004577    0.000006772    0.000000029
      8        8          -0.000000959   -0.000001581    0.000000714
      9        8           0.000003830   -0.000000467   -0.000005605
     10        8           0.000003193   -0.000001110    0.000000388
     11        1          -0.000001423   -0.000001061    0.000001238
     12        1          -0.000003339   -0.000007236   -0.000001271
     13        1           0.000002685    0.000012055    0.000001878
     14        1          -0.000000484   -0.000000824   -0.000000694
     15        1          -0.000002318    0.000000668    0.000001878
     16        1           0.000001293   -0.000001932    0.000000737
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012055 RMS     0.000003735
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.866007D+02 -0.651016D-02  0.248353D+01
      2  -0.651016D-02  0.778524D+02 -0.491854D+00
      3   0.248353D+01 -0.491854D+00  0.532904D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.419090D+01 -0.838884D+00 -0.524122D+01
      2  -0.162484D+01 -0.486164D+01 -0.309922D+01
      3  -0.137565D+02 -0.144206D+01  0.122358D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.116465D+02  0.211745D+02 -0.461296D+01
      2   0.513296D+01 -0.121329D+02  0.381506D+01
      3   0.651353D+01 -0.904160D+01  0.797909D+00
      4   0.179485D+02 -0.228942D+01 -0.111794D+02
      5  -0.425241D+01 -0.886485D+01 -0.305876D+01
      6  -0.759608D+01  0.802366D+00  0.877096D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.221577D+01 -0.784888D+00 -0.820480D-01  0.238102D+01  0.121168D+01
      2  -0.784888D+00  0.213229D+01 -0.294962D+00  0.121168D+01  0.511137D+01
      3  -0.820480D-01 -0.294962D+00  0.496054D+00 -0.323364D+00 -0.302299D+00
                 6             7             8             9            10 
      1  -0.323364D+00 -0.193301D+01  0.336503D+00  0.339961D+00 -0.218183D+01
      2  -0.302299D+00  0.336503D+00 -0.783045D+00 -0.105511D+00 -0.210568D+01
      3  -0.771895D-01  0.339961D+00 -0.105511D+00 -0.811307D+00  0.264400D+00
                11            12            13            14            15 
      1  -0.210568D+01  0.264400D+00 -0.569785D+01 -0.735860D-01 -0.162947D-01
      2  -0.827750D+00  0.869501D-01 -0.735860D-01 -0.117042D+02  0.637489D+00
      3   0.869501D-01 -0.501964D+00 -0.162947D-01  0.637489D+00 -0.197284D+01
                16            17            18            19            20 
      1   0.100060D+01  0.273985D-01 -0.255441D+00  0.908395D+01  0.157124D+00
      2   0.273985D-01  0.861406D+00 -0.263861D+01  0.157124D+00  0.624909D+00
      3  -0.255441D+00 -0.263861D+01  0.935020D+00  0.536115D+00  0.129576D+00
                21            22            23            24            25 
      1   0.536115D+00 -0.181315D+01  0.110834D+01 -0.159359D+00  0.183707D+01
      2   0.129576D+00  0.110834D+01 -0.332491D+01  0.679105D+00 -0.144344D+00
      3   0.121454D+01 -0.159359D+00  0.679105D+00 -0.101404D+00  0.229307D+01
                26            27            28            29            30 
      1  -0.144344D+00  0.229307D+01  0.560777D+01 -0.101309D+01 -0.819338D+00
      2   0.817588D+00  0.383731D+00 -0.101309D+01 -0.770664D+00  0.460933D+00
      3   0.383731D+00  0.974790D+00 -0.819338D+00  0.460933D+00  0.229094D+01
                31            32            33            34            35 
      1  -0.717875D+00 -0.200972D+01  0.944847D+00 -0.267295D+01  0.690505D+00
      2  -0.200972D+01 -0.128717D+01  0.287418D+00  0.690505D+00  0.255113D+00
      3   0.944847D+00  0.287418D+00  0.168342D+01  0.282652D+01  0.488084D+00
                36            37            38            39            40 
      1   0.282652D+01 -0.552212D+01  0.166321D+01  0.751102D+00 -0.286927D+00
      2   0.488084D+00  0.166321D+01  0.127657D+01  0.632529D+00  0.204491D+01
      3   0.475120D+01  0.751102D+00  0.632529D+00 -0.208724D+01  0.109769D+01
                41            42            43            44            45 
      1   0.204491D+01  0.109769D+01  0.280659D+01  0.525737D-01 -0.277763D+01
      2  -0.271857D+00 -0.150369D+00  0.525737D-01  0.201550D+00  0.129356D+01
      3  -0.150369D+00  0.180193D+01 -0.277763D+01  0.129356D+01 -0.459889D+01
                46            47            48            49            50 
      1   0.693025D+01 -0.247236D+01  0.795091D+00 -0.440171D+01 -0.115387D+01
      2  -0.247236D+01  0.824259D+00 -0.167312D+00 -0.115387D+01  0.326333D+00
      3   0.795091D+00 -0.167312D+00  0.577033D+00 -0.853572D+00 -0.139458D+00
                51            52            53            54            55 
      1  -0.853572D+00  0.159079D+01 -0.264316D+00  0.311362D+00 -0.147743D+02
      2  -0.139458D+00 -0.264316D+00  0.612528D+00 -0.777019D+00  0.190346D+01
      3  -0.124959D+01  0.311362D+00 -0.777019D+00  0.868235D+00 -0.120781D+01
                56            57            58            59            60 
      1   0.190346D+01 -0.120781D+01  0.266746D+01 -0.230536D+01  0.347035D+00
      2  -0.366935D+01  0.959334D-01 -0.230536D+01  0.225515D+01 -0.314151D+00
      3   0.959334D-01 -0.223221D+01  0.347035D+00 -0.314151D+00  0.108323D+01
                61            62            63            64            65 
      1  -0.208712D+01  0.251219D+00 -0.338903D+01  0.506669D+01  0.124406D+01
      2   0.251219D+00 -0.901376D+00  0.748934D+00  0.124406D+01  0.416718D+01
      3  -0.338903D+01  0.748934D+00 -0.169354D+01 -0.697754D+00 -0.520406D+00
                66            67            68            69            70 
      1  -0.697754D+00  0.190681D+00  0.293888D+01 -0.332739D+00 -0.642730D+00
      2  -0.520406D+00  0.293888D+01  0.282672D+01 -0.108121D+01 -0.484116D-01
      3   0.519677D+00 -0.332739D+00 -0.108121D+01 -0.196516D+00  0.762058D+00
                71            72            73            74            75 
      1  -0.484116D-01  0.762058D+00  0.258879D+01  0.123893D+01  0.654007D+00
      2  -0.114177D+01  0.123061D+01  0.123893D+01  0.173815D+01 -0.215399D+00
      3   0.123061D+01 -0.695972D+00  0.654007D+00 -0.215399D+00  0.935025D+00
                76            77            78            79            80 
      1   0.171394D+01 -0.930376D+00 -0.732274D+00  0.126573D+01 -0.408102D+00
      2  -0.930376D+00  0.624325D+01  0.130478D+01 -0.408102D+00  0.181287D+01
      3  -0.732274D+00  0.130478D+01  0.557230D+00 -0.313349D+00  0.157169D+01
                81            82            83            84            85 
      1  -0.313349D+00 -0.791509D+01 -0.141996D+01 -0.707139D+00  0.820493D+00
      2   0.157169D+01 -0.141996D+01 -0.146114D+01 -0.547858D-01 -0.603635D+00
      3   0.111831D+01 -0.707139D+00 -0.547858D-01 -0.185969D+00  0.390185D+00
                86            87            88            89            90 
      1  -0.603635D+00  0.390185D+00 -0.130061D+01  0.553943D-01 -0.634039D-02
      2  -0.734087D+01 -0.311326D+00  0.553943D-01 -0.762340D+00 -0.192599D+01
      3  -0.311326D+00 -0.104413D+01 -0.634039D-02 -0.192599D+01 -0.500914D+00
                91            92            93            94            95 
      1  -0.190140D+01 -0.243158D+00 -0.112259D+01 -0.417825D+00  0.175772D+00
      2  -0.243158D+00 -0.324598D+00 -0.859547D-01  0.175772D+00 -0.484044D+00
      3  -0.112259D+01 -0.859547D-01 -0.171033D+01 -0.288782D+00 -0.119253D+01
                96            97            98            99           100 
      1  -0.288782D+00 -0.148508D+01 -0.333953D+00 -0.109696D+01  0.197744D+01
      2  -0.119253D+01 -0.333953D+00 -0.177339D+01 -0.569425D+00 -0.497040D+00
      3  -0.103879D+01 -0.109696D+01 -0.569425D+00 -0.742673D+01  0.115197D+01
               101           102           103           104           105 
      1  -0.497040D+00  0.115197D+01 -0.603878D+00 -0.126710D+00 -0.274193D+00
      2   0.105374D+00 -0.155985D+00 -0.126710D+00 -0.528822D+00  0.121296D+01
      3  -0.155985D+00  0.164944D+01 -0.274193D+00  0.121296D+01 -0.113388D+01
               106           107           108           109           110 
      1   0.155721D+01 -0.228856D+00  0.135538D+01  0.872928D+01 -0.369920D+00
      2  -0.228856D+00  0.161280D+01 -0.789697D+00 -0.369920D+00  0.132691D+01
      3   0.135538D+01 -0.789697D+00  0.733281D+01  0.441612D+00  0.202434D+00
               111           112           113           114           115 
      1   0.441612D+00 -0.510784D+00  0.359452D+00 -0.330404D-01  0.121226D+01
      2   0.202434D+00  0.359452D+00 -0.173184D+01  0.497392D-01 -0.804161D-01
      3   0.349378D+00 -0.330404D-01  0.497392D-01 -0.538716D+00  0.256630D-01
               116           117           118           119           120 
      1  -0.804161D-01  0.256630D-01  0.160032D+01  0.126814D+01 -0.128309D+00
      2   0.283032D+00 -0.533707D+00  0.126814D+01  0.722995D+00  0.108433D+00
      3  -0.533707D+00  0.779923D-01 -0.128309D+00  0.108433D+00  0.581166D+00
               121           122           123           124           125 
      1   0.371023D+01  0.114353D+01  0.450512D+00 -0.388088D+00  0.961330D-01
      2   0.114353D+01  0.447620D+01 -0.344816D+00  0.961330D-01 -0.392548D+00
      3   0.450512D+00 -0.344816D+00  0.795265D+00  0.588401D+00  0.467827D+00
               126           127           128           129           130 
      1   0.588401D+00 -0.229002D+01  0.623556D+00  0.634470D+00  0.215927D+01
      2   0.467827D+00  0.623556D+00 -0.236300D+01  0.444043D-01 -0.743356D+00
      3   0.898015D-01  0.634470D+00  0.444043D-01 -0.559342D+00 -0.242451D+00
               131           132           133           134           135 
      1  -0.743356D+00 -0.242451D+00  0.748399D+00 -0.909802D-01 -0.889673D-01
      2   0.517781D+01 -0.392624D-02 -0.909802D-01  0.571379D+00  0.786816D+00
      3  -0.392624D-02  0.114697D+01 -0.889673D-01  0.786816D+00 -0.762634D-02
               136           137           138           139           140 
      1  -0.478393D+01  0.807611D+00 -0.463780D+00  0.806896D+00 -0.103595D+01
      2   0.807611D+00 -0.350213D+01 -0.266388D+00 -0.103595D+01  0.256920D+00
      3  -0.463780D+00 -0.266388D+00 -0.133619D+01  0.257967D-01 -0.331409D+00
               141           142           143           144 
      1   0.257967D-01 -0.150906D+01  0.896513D-01 -0.574689D+00
      2  -0.331409D+00  0.896513D-01 -0.127380D+01  0.368706D+00
      3   0.285012D+00 -0.574689D+00  0.368706D+00 -0.413171D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.276573D+00 -0.195139D+01  0.128657D+01 -0.375905D+01  0.280200D+01
      2   0.345501D+01 -0.308426D+01 -0.424443D+01 -0.478568D+01  0.623626D+00
      3   0.219609D+00 -0.403550D+01  0.221904D+01 -0.640578D+01 -0.629397D+01
                 6             7             8             9            10 
      1   0.750403D+01 -0.666584D+00  0.980435D+01 -0.284979D+01  0.234649D+00
      2   0.104671D+00 -0.139195D+02  0.253420D+01 -0.468445D+01 -0.271209D+00
      3   0.187472D+01  0.471678D+01  0.278578D+01 -0.139757D+01  0.607950D+01
                11            12            13            14            15 
      1   0.312961D+00 -0.472015D+00  0.575839D-01  0.251998D+00 -0.102379D+02
      2   0.688265D+00  0.301665D+01  0.919950D+00  0.901683D+00 -0.192354D+01
      3  -0.967835D+00 -0.105651D+01  0.175509D+02  0.178273D+02 -0.110949D+01
                16            17            18            19            20 
      1   0.154167D+01 -0.595167D+00  0.226834D+01  0.652921D+00  0.672885D+00
      2  -0.226898D+01 -0.540195D+01  0.219854D+01  0.918222D+00  0.604908D+00
      3  -0.294017D+01 -0.124389D+01  0.513918D+01 -0.265305D+01 -0.886291D+01
                21            22            23            24            25 
      1  -0.520796D+00  0.789631D+00 -0.165706D+01 -0.201673D+01  0.181187D+01
      2   0.875155D+01  0.938687D+00  0.193091D+01 -0.131655D+01  0.503877D+01
      3  -0.594892D+00 -0.375015D+00  0.139874D+02 -0.270157D+01 -0.114245D+01
                26            27            28            29            30 
      1   0.163340D+01  0.452461D+00  0.374147D+00  0.127026D+01  0.178330D+01
      2  -0.161892D+01  0.364115D+01 -0.294488D+01  0.947441D+00  0.344480D+01
      3  -0.410177D+01 -0.158933D+01  0.511818D+00 -0.349440D+01 -0.146476D+00
                31            32            33            34            35 
      1   0.337453D+01  0.280435D+00 -0.214055D+01 -0.194411D+01  0.254308D+01
      2   0.271675D+01 -0.530742D+00 -0.166098D+01 -0.306118D+01  0.885949D+00
      3   0.493356D+01  0.174690D+01 -0.107894D+01 -0.156239D+01 -0.293475D+00
                36            37            38            39            40 
      1  -0.174383D+01 -0.505003D+00  0.217483D+01 -0.143745D+01  0.114439D+01
      2   0.362478D+01 -0.173800D+01 -0.844972D+00  0.287903D+01 -0.244900D+01
      3  -0.154645D+00  0.107725D+01 -0.138046D+01  0.852340D-02  0.643652D+01
                41            42            43            44            45 
      1  -0.827869D-01 -0.191878D+01  0.119243D+01  0.195459D+01  0.228004D+01
      2  -0.904958D+00  0.108423D+01 -0.362530D+01 -0.208637D+01  0.345212D+01
      3   0.775557D+00  0.587587D+00  0.233909D+01 -0.818469D+00  0.642984D+00
                46            47            48            49            50 
      1  -0.644468D-01 -0.512460D+01 -0.161752D+01 -0.395365D+01 -0.290155D+01
      2   0.395077D+01  0.303871D+01 -0.790076D+01  0.424597D+01  0.176321D+01
      3  -0.545373D+01  0.690494D+01 -0.136194D+01  0.351724D+01 -0.401594D+01
                51            52            53            54            55 
      1   0.536811D+01  0.225316D+01  0.128088D+02  0.249887D+01 -0.107294D+01
      2   0.263653D+01 -0.135677D+02 -0.235655D+01 -0.557166D+01  0.517325D+00
      3   0.191258D+01 -0.233266D+01  0.547195D+01 -0.849373D+00  0.973881D+01
                56            57            58            59            60 
      1   0.235336D+01  0.623005D+00  0.109408D+01 -0.462454D+00 -0.343570D+01
      2  -0.706012D+00  0.132280D+02 -0.137804D+01 -0.946194D-01 -0.235321D+01
      3  -0.195492D+02  0.740680D+00 -0.264687D+01  0.991074D+01 -0.768087D+00
                61            62            63            64            65 
      1  -0.270058D+01  0.134914D+01 -0.104531D+01  0.186355D+01 -0.218920D+01
      2   0.507724D+01  0.781633D+00  0.523026D+01  0.168675D+01  0.589278D-01
      3   0.111905D+01 -0.429760D+01  0.339756D+01  0.130873D+02 -0.962007D+01
                66            67            68            69            70 
      1  -0.328434D+01 -0.257485D+01 -0.738385D+00 -0.335040D+01 -0.145616D+01
      2   0.370939D+01 -0.132534D+00 -0.268286D+00  0.197884D+01 -0.188158D+01
      3  -0.186288D+01 -0.322965D+01  0.169331D+01  0.197452D+01 -0.332306D+01
                71            72            73            74            75 
      1   0.313923D+01  0.890907D+00 -0.121389D+01 -0.728579D+00 -0.779200D+00
      2   0.118698D+01 -0.985745D+00 -0.186802D+01 -0.162120D+01  0.117832D+01
      3   0.171448D+01  0.224900D+00  0.123682D+02  0.656221D+01  0.259166D+01
                76            77            78            79            80 
      1  -0.732596D-01  0.284171D+01 -0.570192D+01 -0.296388D+00  0.137548D+01
      2  -0.498270D+00 -0.754506D+00 -0.221592D+01 -0.327804D+01 -0.245947D+00
      3   0.835100D+01  0.736701D+01  0.256441D+00  0.439506D+01  0.349987D+01
                81            82            83            84            85 
      1  -0.156701D+01 -0.142399D+01  0.119669D+01 -0.726749D+00  0.184037D+00
      2  -0.178272D+01 -0.160981D-02 -0.167854D+00  0.347288D+01 -0.109291D+01
      3   0.194476D+01  0.228066D+02 -0.566844D+01  0.167583D+01  0.424159D+01
                86            87            88            89            90 
      1  -0.188888D+00 -0.739161D+01 -0.211510D+01 -0.236080D+01 -0.179993D+01
      2   0.243260D+00  0.294894D+00 -0.948160D+00  0.415043D+01  0.139887D+01
      3  -0.841269D+01 -0.939038D+00  0.456529D+01 -0.209622D+01 -0.316671D+01
                91            92            93            94            95 
      1   0.903037D+00  0.933628D+00  0.667357D+00  0.800780D+00  0.784873D+00
      2  -0.223157D+01 -0.528858D+00 -0.531974D+00 -0.128264D+01 -0.120055D+01
      3  -0.610275D+00 -0.298326D+00 -0.284487D+00  0.999382D+00  0.231808D+00
                96            97            98            99           100 
      1   0.571124D+00  0.657676D+00  0.343731D+01  0.224543D+01 -0.936986D+00
      2  -0.564965D+00 -0.355704D+01 -0.309504D+00 -0.437557D+01 -0.205769D+01
      3   0.775788D+00 -0.234836D+00  0.512337D+00 -0.250427D+00  0.184411D+00
               101           102           103           104           105 
      1   0.761696D+00 -0.789601D+00  0.665683D+00 -0.133112D+01  0.540946D+00
      2   0.460691D+00 -0.474313D+00  0.126703D+01 -0.845645D+00  0.580575D+00
      3  -0.841257D+00  0.302663D+00  0.848638D+00 -0.709700D+00  0.736137D+00
               106           107           108           109           110 
      1  -0.891862D+00  0.320180D+01 -0.271258D+01  0.129334D+01 -0.403003D+00
      2  -0.393228D+01  0.789746D+00 -0.421344D+01  0.245774D+00 -0.224744D+00
      3  -0.187954D+00  0.300574D+00 -0.200049D+00 -0.279052D+02  0.690666D+01
               111           112           113           114           115 
      1   0.104048D+01 -0.501899D+00  0.632700D-01 -0.612323D+00  0.510266D+00
      2  -0.276591D+01  0.413922D-01 -0.102744D+00  0.294160D+00 -0.292299D+01
      3  -0.127319D+01  0.438107D+01 -0.227981D+01  0.195494D+00 -0.377322D+01
               116           117           118           119           120 
      1   0.426790D+00  0.282449D+00  0.455213D+00 -0.457837D+00 -0.774036D+00
      2   0.407432D+00 -0.245383D+00 -0.244286D+00 -0.647451D-01  0.675108D+00
      3   0.108822D+01 -0.366477D+00 -0.441699D+01 -0.889994D+00 -0.556489D+00
               121           122           123           124           125 
      1  -0.909733D-02  0.210081D+01 -0.517513D+00  0.168704D+00  0.100664D+01
      2   0.715412D+00 -0.164069D+01  0.319223D+01  0.178070D+00  0.198995D+01
      3  -0.133968D+01 -0.197283D+02  0.204923D+01 -0.585995D-01  0.246807D+01
               126           127           128           129           130 
      1  -0.206911D+00 -0.317286D+01  0.155063D+01  0.202546D+01  0.127200D+01
      2  -0.415735D+00 -0.108432D+01  0.294125D+00 -0.648893D+00  0.570812D+00
      3  -0.132300D+01 -0.116358D+02  0.543366D+01  0.290689D+01  0.885011D+01
               131           132           133           134           135 
      1  -0.235301D+01 -0.292706D+01  0.493702D+00 -0.128753D+01 -0.671944D+00
      2  -0.288536D+00  0.665962D+00 -0.114697D+01  0.509580D+00  0.721297D+00
      3  -0.886815D+01 -0.109296D+01  0.370821D+01 -0.165307D+01 -0.123233D+01
               136           137           138           139           140 
      1   0.233668D+01 -0.372333D+00  0.297553D+01  0.246162D+00  0.836404D+00
      2   0.291066D+01  0.903333D+00  0.285637D+01  0.203074D+00  0.116859D+01
      3  -0.133955D+02 -0.912691D+01 -0.306255D+01 -0.281131D+01 -0.323515D+01
               141           142           143           144 
      1  -0.379561D+00  0.143840D+01  0.490734D+00  0.143293D+01
      2  -0.796932D+00  0.513919D+00 -0.121306D+01  0.765526D+00
      3  -0.143024D+01 -0.528815D+01 -0.333679D+01 -0.819472D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.195896D+02  0.159268D+01 -0.483934D+00 -0.170984D+01  0.233034D+02
      2   0.114316D+02 -0.447312D+01  0.236688D+01  0.130730D+01 -0.297975D+02
      3   0.815797D+01  0.288044D+01 -0.188295D+01  0.402537D+00  0.649416D+01
      4  -0.598108D+01  0.141912D+01 -0.101878D+01 -0.454249D+01  0.918689D+01
      5  -0.232257D+01 -0.204239D+01 -0.730443D+01  0.240951D+00  0.569040D+00
      6   0.578277D+00 -0.145771D+00 -0.447305D+01  0.110674D+00  0.175649D+01
                 6             7             8             9            10 
      1  -0.325622D+01 -0.799073D+01 -0.547314D+01 -0.294986D+01 -0.254818D+01
      2  -0.133224D-01  0.584086D+01  0.415887D+01 -0.643234D+01  0.630157D+01
      3   0.326954D+01  0.214987D+01  0.131427D+01  0.938221D+01 -0.375339D+01
      4  -0.818958D+00  0.459065D+00 -0.160704D+01 -0.990132D+00 -0.449507D+01
      5  -0.198346D+01  0.313295D+01  0.116410D+01 -0.495018D+01  0.356774D-01
      6  -0.883074D+01 -0.665600D+00  0.206873D+01  0.364932D+01 -0.115981D+01
                11            12            13            14            15 
      1  -0.883305D+01  0.794566D+00 -0.132906D+02 -0.352836D+02  0.144493D+01
      2   0.713852D+01 -0.771335D+00  0.767017D+01  0.529583D+02 -0.840807D+00
      3   0.169454D+01 -0.232304D-01  0.562041D+01 -0.176747D+02 -0.604128D+00
      4   0.153494D+02 -0.849921D+00  0.151500D+02 -0.282565D+02  0.125156D+01
      5  -0.253900D+00  0.478872D+01 -0.157095D+01 -0.152796D+00 -0.418483D+01
      6  -0.407238D+00  0.133352D+01 -0.927216D+00 -0.275642D+01  0.154470D+02
                16            17            18            19            20 
      1   0.256888D+01  0.376636D+01 -0.953827D+01  0.648614D+02  0.829291D+00
      2  -0.225253D+01 -0.256826D+01  0.707921D+01 -0.388193D+02 -0.342864D+00
      3  -0.316356D+00 -0.119810D+01  0.245906D+01 -0.260422D+02 -0.486426D+00
      4  -0.120541D+01  0.152212D+01 -0.769137D+01  0.335378D+00  0.971558D+01
      5   0.380310D+01 -0.854086D+01  0.251576D+01  0.460133D+01  0.139544D+01
      6   0.317450D+00  0.139162D+02 -0.422201D+01  0.763890D+00  0.396114D+00
                21            22            23            24            25 
      1   0.261355D+01 -0.734387D+01  0.427874D+01 -0.525986D+00  0.707531D+01
      2  -0.263183D+01  0.334247D+01 -0.767332D+00  0.793664D+00 -0.649462D+01
      3   0.182844D-01  0.400140D+01 -0.351141D+01 -0.267678D+00 -0.580692D+00
      4   0.111807D+01  0.119734D+02 -0.156424D+02  0.335380D+01  0.174786D+01
      5   0.171459D+02 -0.354628D+00  0.341007D+01 -0.533297D+00  0.192129D+02
      6   0.123879D+01  0.253975D+00  0.529414D-01  0.406572D+01 -0.131699D+01
                26            27            28            29            30 
      1   0.143643D+01  0.100975D+02 -0.146618D+00  0.579068D+01  0.140306D+01
      2  -0.135230D+00 -0.110919D+02  0.163624D+01 -0.565149D+01  0.374605D+01
      3  -0.130120D+01  0.994385D+00 -0.148962D+01 -0.139188D+00 -0.514911D+01
      4   0.344695D+01 -0.589131D+00 -0.221509D+01 -0.315172D+01  0.784880D-01
      5   0.116754D+01  0.745955D+01 -0.118716D+01  0.195195D+01  0.417808D+00
      6   0.362002D+01 -0.287090D+00 -0.135744D+01  0.161217D+01 -0.336887D+01
                31            32            33            34            35 
      1   0.137496D+01 -0.123777D+01  0.431014D+01  0.253362D+01  0.260721D+01
      2   0.349123D+00 -0.202632D+01  0.319164D+01  0.330408D+01 -0.672832D+00
      3  -0.172408D+01  0.326409D+01 -0.750178D+01 -0.583771D+01 -0.193438D+01
      4  -0.874391D+01 -0.808659D+01  0.211700D+01 -0.141180D+01  0.300710D+01
      5   0.121222D+01  0.143183D+01 -0.357797D+01  0.167703D+01  0.195678D+01
      6   0.185808D+01  0.165318D+01 -0.426160D+01  0.328921D+01  0.105790D+01
                36            37            38            39            40 
      1   0.823775D+01  0.143567D+01 -0.676380D+01  0.220405D+01  0.106469D+00
      2   0.777231D+01 -0.143617D+01  0.463682D+01  0.201577D+01 -0.219551D+01
      3  -0.160101D+02  0.499176D-03  0.212698D+01 -0.421983D+01  0.208905D+01
      4   0.516800D+01  0.229583D+00 -0.365709D+01 -0.445010D+00 -0.786525D+01
      5   0.674905D+00 -0.116964D+00 -0.156773D+01 -0.281663D+00 -0.106816D+01
      6  -0.980737D+00  0.118228D+01  0.768611D+00  0.399299D+01  0.333484D+01
                41            42            43            44            45 
      1  -0.578666D+00 -0.393675D+01  0.470248D+01 -0.282125D+01  0.851739D+01
      2  -0.289259D+01 -0.330136D+01  0.259211D+01 -0.129646D+01  0.655442D+01
      3   0.347126D+01  0.723811D+01 -0.729458D+01  0.411772D+01 -0.150718D+02
      4   0.253230D+01  0.259925D+01 -0.131940D+00  0.181715D+01 -0.600860D+01
      5   0.548986D+00  0.364962D+01  0.994337D+00 -0.237416D+01  0.839715D+00
      6  -0.208771D+01 -0.423847D+01 -0.320792D+01  0.153328D+01  0.757670D+00
                46            47            48            49            50 
      1  -0.451917D+02  0.437592D+01 -0.243925D+01  0.193169D+02  0.139778D+02
      2   0.295013D+02  0.439087D+00  0.522208D+01 -0.123489D+02 -0.172452D+02
      3   0.156904D+02 -0.481501D+01 -0.278283D+01 -0.696795D+01  0.326744D+01
      4   0.829556D+01 -0.101673D+02  0.495067D+00  0.295977D+01  0.282966D+01
      5  -0.578767D+01  0.160143D+01 -0.126684D+02  0.298553D+01  0.891983D+00
      6   0.180056D+00 -0.612662D+00  0.424259D+01  0.153145D+01 -0.206977D+00
                51            52            53            54            55 
      1   0.409267D+01 -0.102757D+02  0.508313D+01 -0.740514D+01  0.954444D+02
      2  -0.105490D+01  0.784561D+01 -0.254447D+01 -0.232552D+01 -0.572462D+02
      3  -0.303777D+01  0.243014D+01 -0.253867D+01  0.973066D+01 -0.381982D+02
      4   0.897839D+00  0.207741D+01 -0.347168D+01  0.265325D+01 -0.536546D+01
      5   0.625967D+01  0.980465D+00  0.121844D+01 -0.725128D+01  0.911505D+01
      6  -0.765776D+01  0.448397D-03  0.267615D+01 -0.239512D+01 -0.937984D+00
                56            57            58            59            60 
      1  -0.101890D+02  0.525049D+01 -0.126227D+02  0.869207D+01 -0.165544D+01
      2   0.715302D+01 -0.536075D+01  0.900425D+01 -0.169858D+01  0.136415D+01
      3   0.303603D+01  0.110256D+00  0.361842D+01 -0.699349D+01  0.291290D+00
      4   0.233029D+02 -0.577012D+00  0.187893D+02 -0.801677D+01  0.241252D+01
      5  -0.151894D+01  0.234232D+02 -0.219345D+01  0.234739D+01 -0.561589D+01
      6   0.139775D+01 -0.136600D+01  0.120847D+01 -0.937043D-01  0.551974D+01
                61            62            63            64            65 
      1   0.920688D+01 -0.263920D+01  0.150678D+02  0.136433D+02 -0.944528D+01
      2  -0.880203D+01  0.171066D+01 -0.145190D+02 -0.618086D+01  0.170102D+02
      3  -0.404855D+00  0.928532D+00 -0.548803D+00 -0.746242D+01 -0.756487D+01
      4  -0.266387D+01  0.461233D+01 -0.166947D+01  0.165414D+02  0.147837D+02
      5   0.254282D+02 -0.325523D+01  0.117178D+02 -0.267724D+01 -0.155394D+01
      6   0.159834D+01  0.421626D+01  0.370513D+00 -0.333534D+01 -0.364162D+01
                66            67            68            69            70 
      1   0.475256D+00 -0.548900D+01 -0.239297D+01  0.130592D+01 -0.683072D+00
      2  -0.921794D+00  0.912043D+01  0.900597D+01 -0.350375D+01  0.156589D+01
      3   0.446537D+00 -0.363142D+01 -0.661300D+01  0.219783D+01 -0.882818D+00
      4  -0.311723D+01  0.142813D+02  0.194627D+02 -0.224437D+01 -0.165322D+01
      5   0.743452D+01 -0.971200D+00 -0.434327D+01  0.394014D+01  0.549088D+01
      6   0.534461D+01 -0.194462D+01 -0.523113D+01  0.952813D+01  0.365291D+01
                71            72            73            74            75 
      1   0.461281D+01 -0.413266D+01 -0.422819D+01 -0.245822D+01 -0.268979D+01
      2  -0.337407D+01 -0.686444D+00  0.368369D+01  0.170464D+01  0.126149D+00
      3  -0.123874D+01  0.481910D+01  0.544502D+00  0.753586D+00  0.256364D+01
      4  -0.279646D+01  0.477874D+01  0.351341D+01  0.234181D+00  0.219198D+01
      5   0.307497D+01 -0.321958D+01 -0.230799D+01  0.171677D+00  0.477792D+01
      6   0.767736D+01 -0.371072D+01  0.327287D+01 -0.109092D+01  0.775086D-02
                76            77            78            79            80 
      1  -0.190615D+01 -0.183899D+02 -0.209995D+01 -0.211965D+01 -0.523895D+01
      2  -0.786860D+00  0.287954D+02  0.305036D+01  0.133974D+01  0.424371D+01
      3   0.269301D+01 -0.104055D+02 -0.950414D+00  0.779912D+00  0.995244D+00
      4   0.129373D+02 -0.189396D+02 -0.450588D+01  0.466472D+01 -0.581289D+01
      5   0.189923D+01 -0.388714D+01 -0.545416D+01  0.434194D+01 -0.339468D+01
      6  -0.347993D+01  0.769716D+01  0.120960D+02 -0.157905D+01  0.892966D+01
                81            82            83            84            85 
      1  -0.679035D+01  0.105258D+02  0.392210D+01  0.143983D+01 -0.291391D+01
      2   0.165197D+01 -0.292987D+01 -0.122729D+01 -0.137592D+01  0.320936D+01
      3   0.513837D+01 -0.759592D+01 -0.269480D+01 -0.639069D-01 -0.295455D+00
      4  -0.335868D+01  0.201240D+02  0.196460D+02  0.146752D+01  0.807910D+01
      5  -0.400362D+01  0.110675D+01  0.275928D+00  0.663783D+01 -0.763234D+00
      6   0.536790D+01  0.306055D+01 -0.293460D+00  0.299449D+00 -0.188131D+01
                86            87            88            89            90 
      1  -0.237357D+02 -0.196938D+01  0.150925D+01 -0.272265D+01 -0.736918D+01
      2   0.372929D+02  0.110048D+01 -0.151388D+01  0.171905D+01  0.458746D+01
      3  -0.135572D+02  0.868903D+00  0.462903D-02  0.100360D+01  0.278172D+01
      4   0.196883D+02 -0.309041D+00  0.236561D+01  0.194285D+01  0.661170D+01
      5  -0.645753D+00  0.159943D+01  0.422300D+01  0.655262D+01  0.150900D+01
      6   0.101985D+01  0.132203D+02  0.855627D-01  0.120410D+02  0.276146D+01
                91            92            93            94            95 
      1  -0.159831D+01 -0.927488D+00 -0.325151D+01 -0.162885D+01 -0.259882D+01
      2  -0.358545D+01 -0.301082D+00 -0.220320D+01 -0.419233D+00 -0.941252D+00
      3   0.518376D+01  0.122857D+01  0.545472D+01  0.204808D+01  0.354007D+01
      4  -0.110855D+01  0.122868D+01 -0.746836D+00  0.238109D+01 -0.337045D+00
      5   0.169934D+01  0.162766D+00  0.491029D+01  0.440135D+00 -0.317998D+00
      6   0.259878D+00  0.789700D+00 -0.268500D+00  0.724432D+00  0.129424D+01
                96            97            98            99           100 
      1  -0.217677D+01 -0.340259D+01 -0.491377D+00 -0.179530D+02 -0.225549D+01
      2  -0.278376D+01 -0.270996D+01 -0.257031D+01 -0.151928D+02 -0.288514D+01
      3   0.496053D+01  0.611254D+01  0.306169D+01  0.331458D+02  0.514063D+01
      4  -0.943811D+00 -0.503404D+00 -0.257221D+01 -0.124889D+01  0.142705D+01
      5  -0.372038D-01  0.440675D+01 -0.335062D+00 -0.226866D+01  0.167541D+01
      6   0.548724D+01 -0.337457D+00  0.456343D+01 -0.814071D+00 -0.219449D+00
               101           102           103           104           105 
      1   0.132811D+01 -0.337936D+01  0.191713D+01 -0.252418D+01  0.240880D+01
      2   0.150132D+00 -0.188035D+01  0.308143D+00 -0.116751D+01  0.278163D+01
      3  -0.147824D+01  0.525971D+01 -0.222527D+01  0.369168D+01 -0.519043D+01
      4   0.187237D+01  0.746783D+00  0.222871D+01  0.885869D+00 -0.116135D+01
      5  -0.307120D+00  0.501890D+01 -0.632097D+00 -0.167839D+00  0.235697D+00
      6   0.885053D+00  0.114987D+00  0.805293D+00 -0.153578D+01  0.540234D+01
               106           107           108           109           110 
      1  -0.494708D+01  0.110108D+01 -0.185141D+02 -0.114685D+02  0.378112D+01
      2  -0.242123D+01  0.296685D+01 -0.139994D+02  0.576729D+01 -0.471688D+01
      3   0.736831D+01 -0.406793D+01  0.325135D+02  0.570120D+01  0.935760D+00
      4   0.876295D+00 -0.226770D+01  0.203787D+01 -0.159646D+02 -0.118623D+02
      5   0.430312D+01  0.273591D+00 -0.200675D+01 -0.102611D+01  0.898225D-01
      6   0.762157D+00  0.452744D+01  0.839080D+00 -0.237726D+01 -0.634696D+00
               111           112           113           114           115 
      1   0.192001D-01  0.207818D+01 -0.592408D+01  0.109641D+00 -0.121193D+01
      2  -0.344963D-01 -0.205328D+01  0.806099D+01 -0.183672D+00  0.622900D+00
      3   0.152962D-01 -0.249060D-01 -0.213690D+01  0.740309D-01  0.589031D+00
      4  -0.919124D+00  0.778297D+00  0.162947D+01  0.985896D-01 -0.208658D+01
      5  -0.497631D+01  0.146531D+00 -0.342929D+00  0.519033D+00  0.273609D+00
      6  -0.129105D+01  0.569265D-01 -0.134805D+00  0.174449D+01 -0.385586D+00
               116           117           118           119           120 
      1   0.478490D+00 -0.238585D+01  0.712292D+01  0.630023D+01 -0.562993D+00
      2  -0.737981D+00  0.850125D+00 -0.269066D+01 -0.248060D+01  0.792379D+00
      3   0.259491D+00  0.153573D+01 -0.443226D+01 -0.381964D+01 -0.229386D+00
      4  -0.140002D+01  0.308858D+00  0.728898D+01  0.562577D+01 -0.625939D-01
      5   0.728792D+00 -0.385184D+00 -0.852049D+00  0.989442D-01  0.186956D+01
      6   0.267604D+01 -0.366405D+00 -0.257929D+00  0.285599D+00  0.107033D+01
               121           122           123           124           125 
      1   0.191646D+02  0.393665D+01  0.161099D+01 -0.262993D+01 -0.157378D+00
      2  -0.104729D+02 -0.617945D+00 -0.166596D+01  0.153801D+01  0.351109D-01
      3  -0.869166D+01 -0.331871D+01  0.549753D-01  0.109192D+01  0.122267D+00
      4   0.807526D+01  0.225517D+02 -0.101446D+01  0.254388D+00 -0.158363D+01
      5   0.201240D+01 -0.137820D+01  0.493278D+01  0.372785D+01  0.298665D+01
      6   0.118722D+01  0.894059D+00  0.477325D+00  0.598683D+00  0.174649D+01
               126           127           128           129           130 
      1   0.116972D+01 -0.490346D+01  0.818311D+01 -0.917416D+00  0.608459D+01
      2  -0.127060D+01  0.446643D+01 -0.113612D+02 -0.482612D+00 -0.586597D+01
      3   0.100883D+00  0.437032D+00  0.317810D+01  0.140003D+01 -0.218620D+00
      4   0.303379D+01 -0.563076D+01 -0.735914D+00  0.160306D+01  0.433755D+01
      5  -0.267901D+00  0.100749D+01 -0.696653D+00 -0.130425D+01 -0.101402D+01
      6   0.431793D+00  0.176272D+01  0.216408D+01 -0.205413D+01 -0.446478D+00
               131           132           133           134           135 
      1  -0.171698D+02  0.115425D+00  0.218368D+01 -0.197846D+01 -0.272280D+01
      2   0.258015D+02  0.820396D+00 -0.145033D+01  0.310765D+01  0.273687D+01
      3  -0.863177D+01 -0.935821D+00 -0.733346D+00 -0.112919D+01 -0.140720D-01
      4   0.385008D+01 -0.565301D+00  0.126253D+01  0.149535D+01 -0.219102D-01
      5   0.756047D+00  0.176316D+01  0.101727D+01  0.702821D+00  0.124474D+01
      6  -0.171773D+01  0.447682D+01 -0.606404D+00  0.436438D+01  0.226965D+00
               136           137           138           139           140 
      1   0.143641D+02  0.250497D+01  0.283562D+01 -0.313361D+01  0.374515D+01
      2  -0.474833D+01 -0.767348D+01 -0.262710D+00 -0.177194D+00 -0.957466D+00
      3  -0.961576D+01  0.516851D+01 -0.257291D+01  0.331081D+01 -0.278768D+01
      4  -0.170013D+02  0.142490D+02 -0.456325D+00  0.578113D+01 -0.334453D+01
      5  -0.479769D+00  0.170087D+01  0.340077D+01 -0.369255D+00  0.128059D+01
      6  -0.141531D+01 -0.147272D+01 -0.482341D+01  0.917224D-01 -0.109551D+01
               141           142           143           144 
      1   0.549876D+00  0.182494D+01  0.276480D+01  0.114399D+01
      2  -0.410581D+00 -0.660319D+00 -0.371438D+01 -0.124127D+01
      3  -0.139295D+00 -0.116462D+01  0.949585D+00  0.972829D-01
      4   0.131614D+01 -0.405164D+01  0.366777D+01 -0.301405D+01
      5  -0.151271D+01  0.358727D+01 -0.193281D+01  0.875210D+00
      6   0.813903D+00 -0.221227D+01  0.223804D+01 -0.212040D+01
 Leave Link  716 at Thu Jul  8 23:01:54 2021, MaxMem= 10737418240 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.866007D+02 -0.651016D-02  0.248353D+01
      2  -0.651016D-02  0.778524D+02 -0.491854D+00
      3   0.248353D+01 -0.491854D+00  0.532904D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.419090D+01 -0.838884D+00 -0.524122D+01
      2  -0.162484D+01 -0.486164D+01 -0.309922D+01
      3  -0.137565D+02 -0.144206D+01  0.122358D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.116465D+02  0.211745D+02 -0.461296D+01
      2   0.513296D+01 -0.121329D+02  0.381506D+01
      3   0.651353D+01 -0.904160D+01  0.797909D+00
      4   0.179485D+02 -0.228942D+01 -0.111794D+02
      5  -0.425241D+01 -0.886485D+01 -0.305876D+01
      6  -0.759608D+01  0.802366D+00  0.877096D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.221577D+01 -0.784888D+00 -0.820480D-01  0.238102D+01  0.121168D+01
      2  -0.784888D+00  0.213229D+01 -0.294962D+00  0.121168D+01  0.511137D+01
      3  -0.820480D-01 -0.294962D+00  0.496054D+00 -0.323364D+00 -0.302299D+00
                 6             7             8             9            10 
      1  -0.323364D+00 -0.193301D+01  0.336503D+00  0.339961D+00 -0.218183D+01
      2  -0.302299D+00  0.336503D+00 -0.783045D+00 -0.105511D+00 -0.210568D+01
      3  -0.771895D-01  0.339961D+00 -0.105511D+00 -0.811307D+00  0.264400D+00
                11            12            13            14            15 
      1  -0.210568D+01  0.264400D+00 -0.569785D+01 -0.735860D-01 -0.162947D-01
      2  -0.827750D+00  0.869501D-01 -0.735860D-01 -0.117042D+02  0.637489D+00
      3   0.869501D-01 -0.501964D+00 -0.162947D-01  0.637489D+00 -0.197284D+01
                16            17            18            19            20 
      1   0.100060D+01  0.273985D-01 -0.255441D+00  0.908395D+01  0.157124D+00
      2   0.273985D-01  0.861406D+00 -0.263861D+01  0.157124D+00  0.624909D+00
      3  -0.255441D+00 -0.263861D+01  0.935020D+00  0.536115D+00  0.129576D+00
                21            22            23            24            25 
      1   0.536115D+00 -0.181315D+01  0.110834D+01 -0.159359D+00  0.183707D+01
      2   0.129576D+00  0.110834D+01 -0.332491D+01  0.679105D+00 -0.144344D+00
      3   0.121454D+01 -0.159359D+00  0.679105D+00 -0.101404D+00  0.229307D+01
                26            27            28            29            30 
      1  -0.144344D+00  0.229307D+01  0.560777D+01 -0.101309D+01 -0.819338D+00
      2   0.817588D+00  0.383731D+00 -0.101309D+01 -0.770664D+00  0.460933D+00
      3   0.383731D+00  0.974790D+00 -0.819338D+00  0.460933D+00  0.229094D+01
                31            32            33            34            35 
      1  -0.717875D+00 -0.200972D+01  0.944847D+00 -0.267295D+01  0.690505D+00
      2  -0.200972D+01 -0.128717D+01  0.287418D+00  0.690505D+00  0.255113D+00
      3   0.944847D+00  0.287418D+00  0.168342D+01  0.282652D+01  0.488084D+00
                36            37            38            39            40 
      1   0.282652D+01 -0.552212D+01  0.166321D+01  0.751102D+00 -0.286927D+00
      2   0.488084D+00  0.166321D+01  0.127657D+01  0.632529D+00  0.204491D+01
      3   0.475120D+01  0.751102D+00  0.632529D+00 -0.208724D+01  0.109769D+01
                41            42            43            44            45 
      1   0.204491D+01  0.109769D+01  0.280659D+01  0.525737D-01 -0.277763D+01
      2  -0.271857D+00 -0.150369D+00  0.525737D-01  0.201550D+00  0.129356D+01
      3  -0.150369D+00  0.180193D+01 -0.277763D+01  0.129356D+01 -0.459889D+01
                46            47            48            49            50 
      1   0.693025D+01 -0.247236D+01  0.795091D+00 -0.440171D+01 -0.115387D+01
      2  -0.247236D+01  0.824259D+00 -0.167312D+00 -0.115387D+01  0.326333D+00
      3   0.795091D+00 -0.167312D+00  0.577033D+00 -0.853572D+00 -0.139458D+00
                51            52            53            54            55 
      1  -0.853572D+00  0.159079D+01 -0.264316D+00  0.311362D+00 -0.147743D+02
      2  -0.139458D+00 -0.264316D+00  0.612528D+00 -0.777019D+00  0.190346D+01
      3  -0.124959D+01  0.311362D+00 -0.777019D+00  0.868235D+00 -0.120781D+01
                56            57            58            59            60 
      1   0.190346D+01 -0.120781D+01  0.266746D+01 -0.230536D+01  0.347035D+00
      2  -0.366935D+01  0.959334D-01 -0.230536D+01  0.225515D+01 -0.314151D+00
      3   0.959334D-01 -0.223221D+01  0.347035D+00 -0.314151D+00  0.108323D+01
                61            62            63            64            65 
      1  -0.208712D+01  0.251219D+00 -0.338903D+01  0.506669D+01  0.124406D+01
      2   0.251219D+00 -0.901376D+00  0.748934D+00  0.124406D+01  0.416718D+01
      3  -0.338903D+01  0.748934D+00 -0.169354D+01 -0.697754D+00 -0.520406D+00
                66            67            68            69            70 
      1  -0.697754D+00  0.190681D+00  0.293888D+01 -0.332739D+00 -0.642730D+00
      2  -0.520406D+00  0.293888D+01  0.282672D+01 -0.108121D+01 -0.484116D-01
      3   0.519677D+00 -0.332739D+00 -0.108121D+01 -0.196516D+00  0.762058D+00
                71            72            73            74            75 
      1  -0.484116D-01  0.762058D+00  0.258879D+01  0.123893D+01  0.654007D+00
      2  -0.114177D+01  0.123061D+01  0.123893D+01  0.173815D+01 -0.215399D+00
      3   0.123061D+01 -0.695972D+00  0.654007D+00 -0.215399D+00  0.935025D+00
                76            77            78            79            80 
      1   0.171394D+01 -0.930376D+00 -0.732274D+00  0.126573D+01 -0.408102D+00
      2  -0.930376D+00  0.624325D+01  0.130478D+01 -0.408102D+00  0.181287D+01
      3  -0.732274D+00  0.130478D+01  0.557230D+00 -0.313349D+00  0.157169D+01
                81            82            83            84            85 
      1  -0.313349D+00 -0.791509D+01 -0.141996D+01 -0.707139D+00  0.820493D+00
      2   0.157169D+01 -0.141996D+01 -0.146114D+01 -0.547858D-01 -0.603635D+00
      3   0.111831D+01 -0.707139D+00 -0.547858D-01 -0.185969D+00  0.390185D+00
                86            87            88            89            90 
      1  -0.603635D+00  0.390185D+00 -0.130061D+01  0.553943D-01 -0.634039D-02
      2  -0.734087D+01 -0.311326D+00  0.553943D-01 -0.762340D+00 -0.192599D+01
      3  -0.311326D+00 -0.104413D+01 -0.634039D-02 -0.192599D+01 -0.500914D+00
                91            92            93            94            95 
      1  -0.190140D+01 -0.243158D+00 -0.112259D+01 -0.417825D+00  0.175772D+00
      2  -0.243158D+00 -0.324598D+00 -0.859547D-01  0.175772D+00 -0.484044D+00
      3  -0.112259D+01 -0.859547D-01 -0.171033D+01 -0.288782D+00 -0.119253D+01
                96            97            98            99           100 
      1  -0.288782D+00 -0.148508D+01 -0.333953D+00 -0.109696D+01  0.197744D+01
      2  -0.119253D+01 -0.333953D+00 -0.177339D+01 -0.569425D+00 -0.497040D+00
      3  -0.103879D+01 -0.109696D+01 -0.569425D+00 -0.742673D+01  0.115197D+01
               101           102           103           104           105 
      1  -0.497040D+00  0.115197D+01 -0.603878D+00 -0.126710D+00 -0.274193D+00
      2   0.105374D+00 -0.155985D+00 -0.126710D+00 -0.528822D+00  0.121296D+01
      3  -0.155985D+00  0.164944D+01 -0.274193D+00  0.121296D+01 -0.113388D+01
               106           107           108           109           110 
      1   0.155721D+01 -0.228856D+00  0.135538D+01  0.872928D+01 -0.369920D+00
      2  -0.228856D+00  0.161280D+01 -0.789697D+00 -0.369920D+00  0.132691D+01
      3   0.135538D+01 -0.789697D+00  0.733281D+01  0.441612D+00  0.202434D+00
               111           112           113           114           115 
      1   0.441612D+00 -0.510784D+00  0.359452D+00 -0.330404D-01  0.121226D+01
      2   0.202434D+00  0.359452D+00 -0.173184D+01  0.497392D-01 -0.804161D-01
      3   0.349378D+00 -0.330404D-01  0.497392D-01 -0.538716D+00  0.256630D-01
               116           117           118           119           120 
      1  -0.804161D-01  0.256630D-01  0.160032D+01  0.126814D+01 -0.128309D+00
      2   0.283032D+00 -0.533707D+00  0.126814D+01  0.722995D+00  0.108433D+00
      3  -0.533707D+00  0.779923D-01 -0.128309D+00  0.108433D+00  0.581166D+00
               121           122           123           124           125 
      1   0.371023D+01  0.114353D+01  0.450512D+00 -0.388088D+00  0.961330D-01
      2   0.114353D+01  0.447620D+01 -0.344816D+00  0.961330D-01 -0.392548D+00
      3   0.450512D+00 -0.344816D+00  0.795265D+00  0.588401D+00  0.467827D+00
               126           127           128           129           130 
      1   0.588401D+00 -0.229002D+01  0.623556D+00  0.634470D+00  0.215927D+01
      2   0.467827D+00  0.623556D+00 -0.236300D+01  0.444043D-01 -0.743356D+00
      3   0.898015D-01  0.634470D+00  0.444043D-01 -0.559342D+00 -0.242451D+00
               131           132           133           134           135 
      1  -0.743356D+00 -0.242451D+00  0.748399D+00 -0.909802D-01 -0.889673D-01
      2   0.517781D+01 -0.392624D-02 -0.909802D-01  0.571379D+00  0.786816D+00
      3  -0.392624D-02  0.114697D+01 -0.889673D-01  0.786816D+00 -0.762634D-02
               136           137           138           139           140 
      1  -0.478393D+01  0.807611D+00 -0.463780D+00  0.806896D+00 -0.103595D+01
      2   0.807611D+00 -0.350213D+01 -0.266388D+00 -0.103595D+01  0.256920D+00
      3  -0.463780D+00 -0.266388D+00 -0.133619D+01  0.257967D-01 -0.331409D+00
               141           142           143           144 
      1   0.257967D-01 -0.150906D+01  0.896513D-01 -0.574689D+00
      2  -0.331409D+00  0.896513D-01 -0.127380D+01  0.368706D+00
      3   0.285012D+00 -0.574689D+00  0.368706D+00 -0.413171D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.276573D+00 -0.195139D+01  0.128657D+01 -0.375905D+01  0.280200D+01
      2   0.345501D+01 -0.308426D+01 -0.424443D+01 -0.478568D+01  0.623626D+00
      3   0.219609D+00 -0.403550D+01  0.221904D+01 -0.640578D+01 -0.629397D+01
                 6             7             8             9            10 
      1   0.750403D+01 -0.666584D+00  0.980435D+01 -0.284979D+01  0.234649D+00
      2   0.104671D+00 -0.139195D+02  0.253420D+01 -0.468445D+01 -0.271209D+00
      3   0.187472D+01  0.471678D+01  0.278578D+01 -0.139757D+01  0.607950D+01
                11            12            13            14            15 
      1   0.312961D+00 -0.472015D+00  0.575839D-01  0.251998D+00 -0.102379D+02
      2   0.688265D+00  0.301665D+01  0.919950D+00  0.901683D+00 -0.192354D+01
      3  -0.967835D+00 -0.105651D+01  0.175509D+02  0.178273D+02 -0.110949D+01
                16            17            18            19            20 
      1   0.154167D+01 -0.595167D+00  0.226834D+01  0.652921D+00  0.672885D+00
      2  -0.226898D+01 -0.540195D+01  0.219854D+01  0.918222D+00  0.604908D+00
      3  -0.294017D+01 -0.124389D+01  0.513918D+01 -0.265305D+01 -0.886291D+01
                21            22            23            24            25 
      1  -0.520796D+00  0.789631D+00 -0.165706D+01 -0.201673D+01  0.181187D+01
      2   0.875155D+01  0.938687D+00  0.193091D+01 -0.131655D+01  0.503877D+01
      3  -0.594892D+00 -0.375015D+00  0.139874D+02 -0.270157D+01 -0.114245D+01
                26            27            28            29            30 
      1   0.163340D+01  0.452461D+00  0.374147D+00  0.127026D+01  0.178330D+01
      2  -0.161892D+01  0.364115D+01 -0.294488D+01  0.947441D+00  0.344480D+01
      3  -0.410177D+01 -0.158933D+01  0.511818D+00 -0.349440D+01 -0.146476D+00
                31            32            33            34            35 
      1   0.337453D+01  0.280435D+00 -0.214055D+01 -0.194411D+01  0.254308D+01
      2   0.271675D+01 -0.530742D+00 -0.166098D+01 -0.306118D+01  0.885949D+00
      3   0.493356D+01  0.174690D+01 -0.107894D+01 -0.156239D+01 -0.293475D+00
                36            37            38            39            40 
      1  -0.174383D+01 -0.505003D+00  0.217483D+01 -0.143745D+01  0.114439D+01
      2   0.362478D+01 -0.173800D+01 -0.844972D+00  0.287903D+01 -0.244900D+01
      3  -0.154645D+00  0.107725D+01 -0.138046D+01  0.852340D-02  0.643652D+01
                41            42            43            44            45 
      1  -0.827869D-01 -0.191878D+01  0.119243D+01  0.195459D+01  0.228004D+01
      2  -0.904958D+00  0.108423D+01 -0.362530D+01 -0.208637D+01  0.345212D+01
      3   0.775557D+00  0.587587D+00  0.233909D+01 -0.818469D+00  0.642984D+00
                46            47            48            49            50 
      1  -0.644468D-01 -0.512460D+01 -0.161752D+01 -0.395365D+01 -0.290155D+01
      2   0.395077D+01  0.303871D+01 -0.790076D+01  0.424597D+01  0.176321D+01
      3  -0.545373D+01  0.690494D+01 -0.136194D+01  0.351724D+01 -0.401594D+01
                51            52            53            54            55 
      1   0.536811D+01  0.225316D+01  0.128088D+02  0.249887D+01 -0.107294D+01
      2   0.263653D+01 -0.135677D+02 -0.235655D+01 -0.557166D+01  0.517325D+00
      3   0.191258D+01 -0.233266D+01  0.547195D+01 -0.849373D+00  0.973881D+01
                56            57            58            59            60 
      1   0.235336D+01  0.623005D+00  0.109408D+01 -0.462454D+00 -0.343570D+01
      2  -0.706012D+00  0.132280D+02 -0.137804D+01 -0.946194D-01 -0.235321D+01
      3  -0.195492D+02  0.740680D+00 -0.264687D+01  0.991074D+01 -0.768087D+00
                61            62            63            64            65 
      1  -0.270058D+01  0.134914D+01 -0.104531D+01  0.186355D+01 -0.218920D+01
      2   0.507724D+01  0.781633D+00  0.523026D+01  0.168675D+01  0.589278D-01
      3   0.111905D+01 -0.429760D+01  0.339756D+01  0.130873D+02 -0.962007D+01
                66            67            68            69            70 
      1  -0.328434D+01 -0.257485D+01 -0.738385D+00 -0.335040D+01 -0.145616D+01
      2   0.370939D+01 -0.132534D+00 -0.268286D+00  0.197884D+01 -0.188158D+01
      3  -0.186288D+01 -0.322965D+01  0.169331D+01  0.197452D+01 -0.332306D+01
                71            72            73            74            75 
      1   0.313923D+01  0.890907D+00 -0.121389D+01 -0.728579D+00 -0.779200D+00
      2   0.118698D+01 -0.985745D+00 -0.186802D+01 -0.162120D+01  0.117832D+01
      3   0.171448D+01  0.224900D+00  0.123682D+02  0.656221D+01  0.259166D+01
                76            77            78            79            80 
      1  -0.732596D-01  0.284171D+01 -0.570192D+01 -0.296388D+00  0.137548D+01
      2  -0.498270D+00 -0.754506D+00 -0.221592D+01 -0.327804D+01 -0.245947D+00
      3   0.835100D+01  0.736701D+01  0.256441D+00  0.439506D+01  0.349987D+01
                81            82            83            84            85 
      1  -0.156701D+01 -0.142399D+01  0.119669D+01 -0.726749D+00  0.184037D+00
      2  -0.178272D+01 -0.160981D-02 -0.167854D+00  0.347288D+01 -0.109291D+01
      3   0.194476D+01  0.228066D+02 -0.566844D+01  0.167583D+01  0.424159D+01
                86            87            88            89            90 
      1  -0.188888D+00 -0.739161D+01 -0.211510D+01 -0.236080D+01 -0.179993D+01
      2   0.243260D+00  0.294894D+00 -0.948160D+00  0.415043D+01  0.139887D+01
      3  -0.841269D+01 -0.939038D+00  0.456529D+01 -0.209622D+01 -0.316671D+01
                91            92            93            94            95 
      1   0.903037D+00  0.933628D+00  0.667357D+00  0.800780D+00  0.784873D+00
      2  -0.223157D+01 -0.528858D+00 -0.531974D+00 -0.128264D+01 -0.120055D+01
      3  -0.610275D+00 -0.298326D+00 -0.284487D+00  0.999382D+00  0.231808D+00
                96            97            98            99           100 
      1   0.571124D+00  0.657676D+00  0.343731D+01  0.224543D+01 -0.936986D+00
      2  -0.564965D+00 -0.355704D+01 -0.309504D+00 -0.437557D+01 -0.205769D+01
      3   0.775788D+00 -0.234836D+00  0.512337D+00 -0.250427D+00  0.184411D+00
               101           102           103           104           105 
      1   0.761696D+00 -0.789601D+00  0.665683D+00 -0.133112D+01  0.540946D+00
      2   0.460691D+00 -0.474313D+00  0.126703D+01 -0.845645D+00  0.580575D+00
      3  -0.841257D+00  0.302663D+00  0.848638D+00 -0.709700D+00  0.736137D+00
               106           107           108           109           110 
      1  -0.891862D+00  0.320180D+01 -0.271258D+01  0.129334D+01 -0.403003D+00
      2  -0.393228D+01  0.789746D+00 -0.421344D+01  0.245774D+00 -0.224744D+00
      3  -0.187954D+00  0.300574D+00 -0.200049D+00 -0.279052D+02  0.690666D+01
               111           112           113           114           115 
      1   0.104048D+01 -0.501899D+00  0.632700D-01 -0.612323D+00  0.510266D+00
      2  -0.276591D+01  0.413922D-01 -0.102744D+00  0.294160D+00 -0.292299D+01
      3  -0.127319D+01  0.438107D+01 -0.227981D+01  0.195494D+00 -0.377322D+01
               116           117           118           119           120 
      1   0.426790D+00  0.282449D+00  0.455213D+00 -0.457837D+00 -0.774036D+00
      2   0.407432D+00 -0.245383D+00 -0.244286D+00 -0.647451D-01  0.675108D+00
      3   0.108822D+01 -0.366477D+00 -0.441699D+01 -0.889994D+00 -0.556489D+00
               121           122           123           124           125 
      1  -0.909733D-02  0.210081D+01 -0.517513D+00  0.168704D+00  0.100664D+01
      2   0.715412D+00 -0.164069D+01  0.319223D+01  0.178070D+00  0.198995D+01
      3  -0.133968D+01 -0.197283D+02  0.204923D+01 -0.585995D-01  0.246807D+01
               126           127           128           129           130 
      1  -0.206911D+00 -0.317286D+01  0.155063D+01  0.202546D+01  0.127200D+01
      2  -0.415735D+00 -0.108432D+01  0.294125D+00 -0.648893D+00  0.570812D+00
      3  -0.132300D+01 -0.116358D+02  0.543366D+01  0.290689D+01  0.885011D+01
               131           132           133           134           135 
      1  -0.235301D+01 -0.292706D+01  0.493702D+00 -0.128753D+01 -0.671944D+00
      2  -0.288536D+00  0.665962D+00 -0.114697D+01  0.509580D+00  0.721297D+00
      3  -0.886815D+01 -0.109296D+01  0.370821D+01 -0.165307D+01 -0.123233D+01
               136           137           138           139           140 
      1   0.233668D+01 -0.372333D+00  0.297553D+01  0.246162D+00  0.836404D+00
      2   0.291066D+01  0.903333D+00  0.285637D+01  0.203074D+00  0.116859D+01
      3  -0.133955D+02 -0.912691D+01 -0.306255D+01 -0.281131D+01 -0.323515D+01
               141           142           143           144 
      1  -0.379561D+00  0.143840D+01  0.490734D+00  0.143293D+01
      2  -0.796932D+00  0.513919D+00 -0.121306D+01  0.765526D+00
      3  -0.143024D+01 -0.528815D+01 -0.333679D+01 -0.819472D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.195896D+02  0.159268D+01 -0.483934D+00 -0.170984D+01  0.233034D+02
      2   0.114316D+02 -0.447312D+01  0.236688D+01  0.130730D+01 -0.297975D+02
      3   0.815797D+01  0.288044D+01 -0.188295D+01  0.402537D+00  0.649416D+01
      4  -0.598108D+01  0.141912D+01 -0.101878D+01 -0.454249D+01  0.918689D+01
      5  -0.232257D+01 -0.204239D+01 -0.730443D+01  0.240951D+00  0.569040D+00
      6   0.578277D+00 -0.145771D+00 -0.447305D+01  0.110674D+00  0.175649D+01
                 6             7             8             9            10 
      1  -0.325622D+01 -0.799073D+01 -0.547314D+01 -0.294986D+01 -0.254818D+01
      2  -0.133224D-01  0.584086D+01  0.415887D+01 -0.643234D+01  0.630157D+01
      3   0.326954D+01  0.214987D+01  0.131427D+01  0.938221D+01 -0.375339D+01
      4  -0.818958D+00  0.459065D+00 -0.160704D+01 -0.990132D+00 -0.449507D+01
      5  -0.198346D+01  0.313295D+01  0.116410D+01 -0.495018D+01  0.356774D-01
      6  -0.883074D+01 -0.665600D+00  0.206873D+01  0.364932D+01 -0.115981D+01
                11            12            13            14            15 
      1  -0.883305D+01  0.794566D+00 -0.132906D+02 -0.352836D+02  0.144493D+01
      2   0.713852D+01 -0.771335D+00  0.767017D+01  0.529583D+02 -0.840807D+00
      3   0.169454D+01 -0.232304D-01  0.562041D+01 -0.176747D+02 -0.604128D+00
      4   0.153494D+02 -0.849921D+00  0.151500D+02 -0.282565D+02  0.125156D+01
      5  -0.253900D+00  0.478872D+01 -0.157095D+01 -0.152796D+00 -0.418483D+01
      6  -0.407238D+00  0.133352D+01 -0.927216D+00 -0.275642D+01  0.154470D+02
                16            17            18            19            20 
      1   0.256888D+01  0.376636D+01 -0.953827D+01  0.648614D+02  0.829291D+00
      2  -0.225253D+01 -0.256826D+01  0.707921D+01 -0.388193D+02 -0.342864D+00
      3  -0.316356D+00 -0.119810D+01  0.245906D+01 -0.260422D+02 -0.486426D+00
      4  -0.120541D+01  0.152212D+01 -0.769137D+01  0.335378D+00  0.971558D+01
      5   0.380310D+01 -0.854086D+01  0.251576D+01  0.460133D+01  0.139544D+01
      6   0.317450D+00  0.139162D+02 -0.422201D+01  0.763890D+00  0.396114D+00
                21            22            23            24            25 
      1   0.261355D+01 -0.734387D+01  0.427874D+01 -0.525986D+00  0.707531D+01
      2  -0.263183D+01  0.334247D+01 -0.767332D+00  0.793664D+00 -0.649462D+01
      3   0.182844D-01  0.400140D+01 -0.351141D+01 -0.267678D+00 -0.580692D+00
      4   0.111807D+01  0.119734D+02 -0.156424D+02  0.335380D+01  0.174786D+01
      5   0.171459D+02 -0.354628D+00  0.341007D+01 -0.533297D+00  0.192129D+02
      6   0.123879D+01  0.253975D+00  0.529414D-01  0.406572D+01 -0.131699D+01
                26            27            28            29            30 
      1   0.143643D+01  0.100975D+02 -0.146618D+00  0.579068D+01  0.140306D+01
      2  -0.135230D+00 -0.110919D+02  0.163624D+01 -0.565149D+01  0.374605D+01
      3  -0.130120D+01  0.994385D+00 -0.148962D+01 -0.139188D+00 -0.514911D+01
      4   0.344695D+01 -0.589131D+00 -0.221509D+01 -0.315172D+01  0.784880D-01
      5   0.116754D+01  0.745955D+01 -0.118716D+01  0.195195D+01  0.417808D+00
      6   0.362002D+01 -0.287090D+00 -0.135744D+01  0.161217D+01 -0.336887D+01
                31            32            33            34            35 
      1   0.137496D+01 -0.123777D+01  0.431014D+01  0.253362D+01  0.260721D+01
      2   0.349123D+00 -0.202632D+01  0.319164D+01  0.330408D+01 -0.672832D+00
      3  -0.172408D+01  0.326409D+01 -0.750178D+01 -0.583771D+01 -0.193438D+01
      4  -0.874391D+01 -0.808659D+01  0.211700D+01 -0.141180D+01  0.300710D+01
      5   0.121222D+01  0.143183D+01 -0.357797D+01  0.167703D+01  0.195678D+01
      6   0.185808D+01  0.165318D+01 -0.426160D+01  0.328921D+01  0.105790D+01
                36            37            38            39            40 
      1   0.823775D+01  0.143567D+01 -0.676380D+01  0.220405D+01  0.106469D+00
      2   0.777231D+01 -0.143617D+01  0.463682D+01  0.201577D+01 -0.219551D+01
      3  -0.160101D+02  0.499176D-03  0.212698D+01 -0.421983D+01  0.208905D+01
      4   0.516800D+01  0.229583D+00 -0.365709D+01 -0.445010D+00 -0.786525D+01
      5   0.674905D+00 -0.116964D+00 -0.156773D+01 -0.281663D+00 -0.106816D+01
      6  -0.980737D+00  0.118228D+01  0.768611D+00  0.399299D+01  0.333484D+01
                41            42            43            44            45 
      1  -0.578666D+00 -0.393675D+01  0.470248D+01 -0.282125D+01  0.851739D+01
      2  -0.289259D+01 -0.330136D+01  0.259211D+01 -0.129646D+01  0.655442D+01
      3   0.347126D+01  0.723811D+01 -0.729458D+01  0.411772D+01 -0.150718D+02
      4   0.253230D+01  0.259925D+01 -0.131940D+00  0.181715D+01 -0.600860D+01
      5   0.548986D+00  0.364962D+01  0.994337D+00 -0.237416D+01  0.839715D+00
      6  -0.208771D+01 -0.423847D+01 -0.320792D+01  0.153328D+01  0.757670D+00
                46            47            48            49            50 
      1  -0.451917D+02  0.437592D+01 -0.243925D+01  0.193169D+02  0.139778D+02
      2   0.295013D+02  0.439087D+00  0.522208D+01 -0.123489D+02 -0.172452D+02
      3   0.156904D+02 -0.481501D+01 -0.278283D+01 -0.696795D+01  0.326744D+01
      4   0.829556D+01 -0.101673D+02  0.495067D+00  0.295977D+01  0.282966D+01
      5  -0.578767D+01  0.160143D+01 -0.126684D+02  0.298553D+01  0.891983D+00
      6   0.180056D+00 -0.612662D+00  0.424259D+01  0.153145D+01 -0.206977D+00
                51            52            53            54            55 
      1   0.409267D+01 -0.102757D+02  0.508313D+01 -0.740514D+01  0.954444D+02
      2  -0.105490D+01  0.784561D+01 -0.254447D+01 -0.232552D+01 -0.572462D+02
      3  -0.303777D+01  0.243014D+01 -0.253867D+01  0.973066D+01 -0.381982D+02
      4   0.897839D+00  0.207741D+01 -0.347168D+01  0.265325D+01 -0.536546D+01
      5   0.625967D+01  0.980465D+00  0.121844D+01 -0.725128D+01  0.911505D+01
      6  -0.765776D+01  0.448397D-03  0.267615D+01 -0.239512D+01 -0.937984D+00
                56            57            58            59            60 
      1  -0.101890D+02  0.525049D+01 -0.126227D+02  0.869207D+01 -0.165544D+01
      2   0.715302D+01 -0.536075D+01  0.900425D+01 -0.169858D+01  0.136415D+01
      3   0.303603D+01  0.110256D+00  0.361842D+01 -0.699349D+01  0.291290D+00
      4   0.233029D+02 -0.577012D+00  0.187893D+02 -0.801677D+01  0.241252D+01
      5  -0.151894D+01  0.234232D+02 -0.219345D+01  0.234739D+01 -0.561589D+01
      6   0.139775D+01 -0.136600D+01  0.120847D+01 -0.937043D-01  0.551974D+01
                61            62            63            64            65 
      1   0.920688D+01 -0.263920D+01  0.150678D+02  0.136433D+02 -0.944528D+01
      2  -0.880203D+01  0.171066D+01 -0.145190D+02 -0.618086D+01  0.170102D+02
      3  -0.404855D+00  0.928532D+00 -0.548803D+00 -0.746242D+01 -0.756487D+01
      4  -0.266387D+01  0.461233D+01 -0.166947D+01  0.165414D+02  0.147837D+02
      5   0.254282D+02 -0.325523D+01  0.117178D+02 -0.267724D+01 -0.155394D+01
      6   0.159834D+01  0.421626D+01  0.370513D+00 -0.333534D+01 -0.364162D+01
                66            67            68            69            70 
      1   0.475256D+00 -0.548900D+01 -0.239297D+01  0.130592D+01 -0.683072D+00
      2  -0.921794D+00  0.912043D+01  0.900597D+01 -0.350375D+01  0.156589D+01
      3   0.446537D+00 -0.363142D+01 -0.661300D+01  0.219783D+01 -0.882818D+00
      4  -0.311723D+01  0.142813D+02  0.194627D+02 -0.224437D+01 -0.165322D+01
      5   0.743452D+01 -0.971200D+00 -0.434327D+01  0.394014D+01  0.549088D+01
      6   0.534461D+01 -0.194462D+01 -0.523113D+01  0.952813D+01  0.365291D+01
                71            72            73            74            75 
      1   0.461281D+01 -0.413266D+01 -0.422819D+01 -0.245822D+01 -0.268979D+01
      2  -0.337407D+01 -0.686444D+00  0.368369D+01  0.170464D+01  0.126149D+00
      3  -0.123874D+01  0.481910D+01  0.544502D+00  0.753586D+00  0.256364D+01
      4  -0.279646D+01  0.477874D+01  0.351341D+01  0.234181D+00  0.219198D+01
      5   0.307497D+01 -0.321958D+01 -0.230799D+01  0.171677D+00  0.477792D+01
      6   0.767736D+01 -0.371072D+01  0.327287D+01 -0.109092D+01  0.775086D-02
                76            77            78            79            80 
      1  -0.190615D+01 -0.183899D+02 -0.209995D+01 -0.211965D+01 -0.523895D+01
      2  -0.786860D+00  0.287954D+02  0.305036D+01  0.133974D+01  0.424371D+01
      3   0.269301D+01 -0.104055D+02 -0.950414D+00  0.779912D+00  0.995244D+00
      4   0.129373D+02 -0.189396D+02 -0.450588D+01  0.466472D+01 -0.581289D+01
      5   0.189923D+01 -0.388714D+01 -0.545416D+01  0.434194D+01 -0.339468D+01
      6  -0.347993D+01  0.769716D+01  0.120960D+02 -0.157905D+01  0.892966D+01
                81            82            83            84            85 
      1  -0.679035D+01  0.105258D+02  0.392210D+01  0.143983D+01 -0.291391D+01
      2   0.165197D+01 -0.292987D+01 -0.122729D+01 -0.137592D+01  0.320936D+01
      3   0.513837D+01 -0.759592D+01 -0.269480D+01 -0.639069D-01 -0.295455D+00
      4  -0.335868D+01  0.201240D+02  0.196460D+02  0.146752D+01  0.807910D+01
      5  -0.400362D+01  0.110675D+01  0.275928D+00  0.663783D+01 -0.763234D+00
      6   0.536790D+01  0.306055D+01 -0.293460D+00  0.299449D+00 -0.188131D+01
                86            87            88            89            90 
      1  -0.237357D+02 -0.196938D+01  0.150925D+01 -0.272265D+01 -0.736918D+01
      2   0.372929D+02  0.110048D+01 -0.151388D+01  0.171905D+01  0.458746D+01
      3  -0.135572D+02  0.868903D+00  0.462903D-02  0.100360D+01  0.278172D+01
      4   0.196883D+02 -0.309041D+00  0.236561D+01  0.194285D+01  0.661170D+01
      5  -0.645753D+00  0.159943D+01  0.422300D+01  0.655262D+01  0.150900D+01
      6   0.101985D+01  0.132203D+02  0.855627D-01  0.120410D+02  0.276146D+01
                91            92            93            94            95 
      1  -0.159831D+01 -0.927488D+00 -0.325151D+01 -0.162885D+01 -0.259882D+01
      2  -0.358545D+01 -0.301082D+00 -0.220320D+01 -0.419233D+00 -0.941252D+00
      3   0.518376D+01  0.122857D+01  0.545472D+01  0.204808D+01  0.354007D+01
      4  -0.110855D+01  0.122868D+01 -0.746836D+00  0.238109D+01 -0.337045D+00
      5   0.169934D+01  0.162766D+00  0.491029D+01  0.440135D+00 -0.317998D+00
      6   0.259878D+00  0.789700D+00 -0.268500D+00  0.724432D+00  0.129424D+01
                96            97            98            99           100 
      1  -0.217677D+01 -0.340259D+01 -0.491377D+00 -0.179530D+02 -0.225549D+01
      2  -0.278376D+01 -0.270996D+01 -0.257031D+01 -0.151928D+02 -0.288514D+01
      3   0.496053D+01  0.611254D+01  0.306169D+01  0.331458D+02  0.514063D+01
      4  -0.943811D+00 -0.503404D+00 -0.257221D+01 -0.124889D+01  0.142705D+01
      5  -0.372038D-01  0.440675D+01 -0.335062D+00 -0.226866D+01  0.167541D+01
      6   0.548724D+01 -0.337457D+00  0.456343D+01 -0.814071D+00 -0.219449D+00
               101           102           103           104           105 
      1   0.132811D+01 -0.337936D+01  0.191713D+01 -0.252418D+01  0.240880D+01
      2   0.150132D+00 -0.188035D+01  0.308143D+00 -0.116751D+01  0.278163D+01
      3  -0.147824D+01  0.525971D+01 -0.222527D+01  0.369168D+01 -0.519043D+01
      4   0.187237D+01  0.746783D+00  0.222871D+01  0.885869D+00 -0.116135D+01
      5  -0.307120D+00  0.501890D+01 -0.632097D+00 -0.167839D+00  0.235697D+00
      6   0.885053D+00  0.114987D+00  0.805293D+00 -0.153578D+01  0.540234D+01
               106           107           108           109           110 
      1  -0.494708D+01  0.110108D+01 -0.185141D+02 -0.114685D+02  0.378112D+01
      2  -0.242123D+01  0.296685D+01 -0.139994D+02  0.576729D+01 -0.471688D+01
      3   0.736831D+01 -0.406793D+01  0.325135D+02  0.570120D+01  0.935760D+00
      4   0.876295D+00 -0.226770D+01  0.203787D+01 -0.159646D+02 -0.118623D+02
      5   0.430312D+01  0.273591D+00 -0.200675D+01 -0.102611D+01  0.898225D-01
      6   0.762157D+00  0.452744D+01  0.839080D+00 -0.237726D+01 -0.634696D+00
               111           112           113           114           115 
      1   0.192001D-01  0.207818D+01 -0.592408D+01  0.109641D+00 -0.121193D+01
      2  -0.344963D-01 -0.205328D+01  0.806099D+01 -0.183672D+00  0.622900D+00
      3   0.152962D-01 -0.249060D-01 -0.213690D+01  0.740309D-01  0.589031D+00
      4  -0.919124D+00  0.778297D+00  0.162947D+01  0.985896D-01 -0.208658D+01
      5  -0.497631D+01  0.146531D+00 -0.342929D+00  0.519033D+00  0.273609D+00
      6  -0.129105D+01  0.569265D-01 -0.134805D+00  0.174449D+01 -0.385586D+00
               116           117           118           119           120 
      1   0.478490D+00 -0.238585D+01  0.712292D+01  0.630023D+01 -0.562993D+00
      2  -0.737981D+00  0.850125D+00 -0.269066D+01 -0.248060D+01  0.792379D+00
      3   0.259491D+00  0.153573D+01 -0.443226D+01 -0.381964D+01 -0.229386D+00
      4  -0.140002D+01  0.308858D+00  0.728898D+01  0.562577D+01 -0.625939D-01
      5   0.728792D+00 -0.385184D+00 -0.852049D+00  0.989442D-01  0.186956D+01
      6   0.267604D+01 -0.366405D+00 -0.257929D+00  0.285599D+00  0.107033D+01
               121           122           123           124           125 
      1   0.191646D+02  0.393665D+01  0.161099D+01 -0.262993D+01 -0.157378D+00
      2  -0.104729D+02 -0.617945D+00 -0.166596D+01  0.153801D+01  0.351109D-01
      3  -0.869166D+01 -0.331871D+01  0.549753D-01  0.109192D+01  0.122267D+00
      4   0.807526D+01  0.225517D+02 -0.101446D+01  0.254388D+00 -0.158363D+01
      5   0.201240D+01 -0.137820D+01  0.493278D+01  0.372785D+01  0.298665D+01
      6   0.118722D+01  0.894059D+00  0.477325D+00  0.598683D+00  0.174649D+01
               126           127           128           129           130 
      1   0.116972D+01 -0.490346D+01  0.818311D+01 -0.917416D+00  0.608459D+01
      2  -0.127060D+01  0.446643D+01 -0.113612D+02 -0.482612D+00 -0.586597D+01
      3   0.100883D+00  0.437032D+00  0.317810D+01  0.140003D+01 -0.218620D+00
      4   0.303379D+01 -0.563076D+01 -0.735914D+00  0.160306D+01  0.433755D+01
      5  -0.267901D+00  0.100749D+01 -0.696653D+00 -0.130425D+01 -0.101402D+01
      6   0.431793D+00  0.176272D+01  0.216408D+01 -0.205413D+01 -0.446478D+00
               131           132           133           134           135 
      1  -0.171698D+02  0.115425D+00  0.218368D+01 -0.197846D+01 -0.272280D+01
      2   0.258015D+02  0.820396D+00 -0.145033D+01  0.310765D+01  0.273687D+01
      3  -0.863177D+01 -0.935821D+00 -0.733346D+00 -0.112919D+01 -0.140720D-01
      4   0.385008D+01 -0.565301D+00  0.126253D+01  0.149535D+01 -0.219102D-01
      5   0.756047D+00  0.176316D+01  0.101727D+01  0.702821D+00  0.124474D+01
      6  -0.171773D+01  0.447682D+01 -0.606404D+00  0.436438D+01  0.226965D+00
               136           137           138           139           140 
      1   0.143641D+02  0.250497D+01  0.283562D+01 -0.313361D+01  0.374515D+01
      2  -0.474833D+01 -0.767348D+01 -0.262710D+00 -0.177194D+00 -0.957466D+00
      3  -0.961576D+01  0.516851D+01 -0.257291D+01  0.331081D+01 -0.278768D+01
      4  -0.170013D+02  0.142490D+02 -0.456325D+00  0.578113D+01 -0.334453D+01
      5  -0.479769D+00  0.170087D+01  0.340077D+01 -0.369255D+00  0.128059D+01
      6  -0.141531D+01 -0.147272D+01 -0.482341D+01  0.917224D-01 -0.109551D+01
               141           142           143           144 
      1   0.549876D+00  0.182494D+01  0.276480D+01  0.114399D+01
      2  -0.410581D+00 -0.660319D+00 -0.371438D+01 -0.124127D+01
      3  -0.139295D+00 -0.116462D+01  0.949585D+00  0.972829D-01
      4   0.131614D+01 -0.405164D+01  0.366777D+01 -0.301405D+01
      5  -0.151271D+01  0.358727D+01 -0.193281D+01  0.875210D+00
      6   0.813903D+00 -0.221227D+01  0.223804D+01 -0.212040D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.132091D+01      0.335741D+01      0.111991D+02
   x          0.793648D+00      0.201725D+01      0.672883D+01
   y          0.105583D+01      0.268365D+01      0.895170D+01
   z         -0.116624D-01     -0.296428D-01     -0.988779D-01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.669353D+02      0.991878D+01      0.110361D+02
   aniso      0.299382D+02      0.443638D+01      0.493614D+01
   xx         0.808764D+02      0.119846D+02      0.133347D+02
   yx         0.114689D-01      0.169951D-02      0.189096D-02
   yy         0.721132D+02      0.106861D+02      0.118899D+02
   zx         0.228734D+01      0.338950D+00      0.377132D+00
   zy        -0.423095D+00     -0.626962D-01     -0.697589D-01
   zz         0.478162D+02      0.708562D+01      0.788382D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.725812D+02      0.107554D+02      0.119670D+02
   aniso      0.302312D+02      0.447980D+01      0.498445D+01
   xx         0.866007D+02      0.128329D+02      0.142785D+02
   yx        -0.651016D-02     -0.964706D-03     -0.107338D-02
   yy         0.778524D+02      0.115365D+02      0.128361D+02
   zx         0.248353D+01      0.368022D+00      0.409479D+00
   zy        -0.491854D+00     -0.728852D-01     -0.810957D-01
   zz         0.532904D+02      0.789683D+01      0.878641D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.48815649         -1.85396287          0.89216674
     8          2.95920301         -2.55521649         -1.23745182
     8          3.34293092         -3.05261297          2.90597208
     6          0.83814839          0.44583491          1.41492448
     6         -1.73062208          0.20630954          0.00596100
     6         -1.60335814          1.25212253         -2.70290523
     8         -3.04286996          2.91322072         -3.31187013
     8          0.45760161          0.63298813          4.04597858
     8         -3.55445576          1.56904693          1.36877920
     8          0.09045969          0.27990378         -4.24778223
     1          1.85692557          2.11313757          0.72126523
     1         -2.28252787         -1.78795564         -0.07485028
     1          1.21976619         -0.93469712         -3.36241776
     1          2.63364914         -2.21202011          4.39122487
     1         -1.19586185          1.39344146          4.28667708
     1         -4.20885744          2.82763477          0.18821163

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.132091D+01      0.335741D+01      0.111991D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.132091D+01      0.335741D+01      0.111991D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.669353D+02      0.991878D+01      0.110361D+02
   aniso      0.299382D+02      0.443638D+01      0.493614D+01
   xx         0.648832D+02      0.961469D+01      0.106978D+02
   yx        -0.149333D+02     -0.221289D+01     -0.246217D+01
   yy         0.606550D+02      0.898815D+01      0.100007D+02
   zx         0.258395D+01      0.382902D+00      0.426036D+00
   zy        -0.354179D+01     -0.524839D+00     -0.583962D+00
   zz         0.752676D+02      0.111535D+02      0.124099D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.725812D+02      0.107554D+02      0.119670D+02
   aniso      0.302312D+02      0.447980D+01      0.498445D+01
   xx         0.703418D+02      0.104236D+02      0.115978D+02
   yx        -0.151187D+02     -0.224037D+01     -0.249274D+01
   yy         0.664187D+02      0.984224D+01      0.109510D+02
   zx         0.253373D+01      0.375460D+00      0.417756D+00
   zy        -0.358542D+01     -0.531304D+00     -0.591155D+00
   zz         0.809830D+02      0.120004D+02      0.133523D+02

 ----------------------------------------------------------------------
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 READER, WHETHER YOU BE DILETTANTE OR PROFESSOR ... SHOW YOURSELF TO BE
 MORE HUMAN THAN CRITICAL, AND THEN YOUR PLEASURE WILL INCREASE.
                                           -- DOMENICO SCARLATTI (1738)
 Job cpu time:       0 days  5 hours  5 minutes 38.7 seconds.
 Elapsed time:       0 days  0 hours 19 minutes  8.5 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 23:01:55 2021.
